N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine

C25H29NO2 — CID 54848912

IUPACN-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESC=C(C)COc1ccc2ccccc2c1CNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C25H29NO2/c1-18(2)17-27-25-14-11-21-7-5-6-8-23(21)24(25)16-26-15-20-9-12-22(13-10-20)28-19(3)4/h5-14,19,26H,1,15-17H2,2-4H3
InChIKeyMMCAJTSPSWBNOO-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.87
Rot. Bonds9

About N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine

N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 54848912) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID54848912
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESC=C(C)COc1ccc2ccccc2c1CNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C25H29NO2/c1-18(2)17-27-25-14-11-21-7-5-6-8-23(21)24(25)16-26-15-20-9-12-22(13-10-20)28-19(3)4/h5-14,19,26H,1,15-17H2,2-4H3
InChIKeyMMCAJTSPSWBNOO-UHFFFAOYSA-N
XLogP5.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848695
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053734
2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849156
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053617
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
1,2-bis(2-methylprop-2-enoxy)naphthalene
CID 139631746
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724157
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847984

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine (CID 54848912) is N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine is C=C(C)COc1ccc2ccccc2c1CNCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is MMCAJTSPSWBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-18(2)17-27-25-14-11-21-7-5-6-8-23(21)24(25)16-26-15-20-9-12-22(13-10-20)28-19(3)4/h5-14,19,26H,1,15-17H2,2-4H3.
What are the key properties of N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 375.51 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 54848912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).