N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine

C26H35NO — CID 54313138

IUPACN-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine
SMILESCNCCOc1ccc(C=C(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C26H35NO/c1-19(17-20-7-10-22(11-8-20)28-16-15-27-6)21-9-12-23-24(18-21)26(4,5)14-13-25(23,2)3/h7-12,17-18,27H,13-16H2,1-6H3
InChIKeySMHJTRQIXRVBIK-UHFFFAOYSA-N
MW377.57 g/mol
LogP6.19
Rot. Bonds6

About N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine

N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine (PubChem CID 54313138) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine
PubChem CID54313138
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC NameN-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine
SMILESCNCCOc1ccc(C=C(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C26H35NO/c1-19(17-20-7-10-22(11-8-20)28-16-15-27-6)21-9-12-23-24(18-21)26(4,5)14-13-25(23,2)3/h7-12,17-18,27H,13-16H2,1-6H3
InChIKeySMHJTRQIXRVBIK-UHFFFAOYSA-N
XLogP6.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 67785927
2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine
CID 67804662
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenethiol
CID 54087498
4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 18658225
bis(N-methylmethanamine);[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methyl dihydrogen phosphate
CID 70425594
N-[methylamino-[[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methoxy]phosphoryl]methanamine
CID 70425098
1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 14425582
1,1,4,4-tetramethyl-6-[(Z)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 18990095
6-[(E)-1-(4-ethylsulfonylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 6435463
4-[(Z)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenesulfonic acid
CID 6439761
[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]phosphonic acid
CID 14371698
6-[(E)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 14425598

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine?
The IUPAC name of N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine (CID 54313138) is N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine?
The canonical SMILES for N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine is CNCCOc1ccc(C=C(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine?
The InChIKey is SMHJTRQIXRVBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO/c1-19(17-20-7-10-22(11-8-20)28-16-15-27-6)21-9-12-23-24(18-21)26(4,5)14-13-25(23,2)3/h7-12,17-18,27H,13-16H2,1-6H3.
What are the key properties of N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine?
N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine has a molecular weight of 377.57 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethanamine is sourced from PubChem (CID 54313138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).