N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C20H24N2O2 — CID 91647369

IUPACN-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C20H24N2O2/c1-14-7-8-16(11-20(14)22(23)24)13-21-15(2)18-10-9-17-5-3-4-6-19(17)12-18/h7-12,15,21H,3-6,13H2,1-2H3
InChIKeyWLJGUHDQIDKJSL-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.63
Rot. Bonds5

About N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 91647369) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID91647369
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C20H24N2O2/c1-14-7-8-16(11-20(14)22(23)24)13-21-15(2)18-10-9-17-5-3-4-6-19(17)12-18/h7-12,15,21H,3-6,13H2,1-2H3
InChIKeyWLJGUHDQIDKJSL-UHFFFAOYSA-N
XLogP4.63
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
CID 43223840
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
N-[(4-methyl-3-nitrophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43223478
(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81361061
1-[4-[(1S)-1-[(4-amino-3-nitrophenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97258229
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetonitrile
CID 84598222
1-(4-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)methylamino]propan-1-ol
CID 111422148
2-(2-nitrophenyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 26419609
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 43200358
N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 43426714
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 91647369) is N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is Cc1ccc(CNC(C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-].
What is the InChIKey of N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is WLJGUHDQIDKJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-7-8-16(11-20(14)22(23)24)13-21-15(2)18-10-9-17-5-3-4-6-19(17)12-18/h7-12,15,21H,3-6,13H2,1-2H3.
What are the key properties of N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 324.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 91647369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).