1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine

C76H68N4 — CID 139062254

IUPAC1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/4C19H17N/c4*1-15(17-7-3-2-4-8-17)20-14-16-11-12-18-9-5-6-10-19(18)13-16/h4*2-15H,1H3/b4*20-14+/t4*15-/m0000/s1
InChIKeyLFKDPUVAIPVATG-FKDMUHLJSA-N
MW1037.41 g/mol
LogP20.08
Rot. Bonds12

About 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine

1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 139062254) has the molecular formula C76H68N4 and a molecular weight of 1037.41 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine
PubChem CID139062254
Molecular FormulaC76H68N4
Molecular Weight1037.41 g/mol
Exact Mass1036.54
IUPAC Name1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/4C19H17N/c4*1-15(17-7-3-2-4-8-17)20-14-16-11-12-18-9-5-6-10-19(18)13-16/h4*2-15H,1H3/b4*20-14+/t4*15-/m0000/s1
InChIKeyLFKDPUVAIPVATG-FKDMUHLJSA-N
XLogP20.08
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.41
LogP ≤ 520.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,4-Butanediamine, 2-sec-butyl-N1-(2-(2-(dimethylamino)ethyl)-3-methyl-2-(2-naphthyl)pentylidene)-N4,N4-dimethyl-2-(2-naphthyl)-
CID 99085
1-Naphthalenepropylamine, gamma,gamma'-nitrilodimethylenebis(N,N-dimethyl-gamma-(2-dimethylaminoethyl)-
CID 99125
Benzenemethanamine,N'-(1,1'-biphenyl]-2,2'-diyldimethylidyne)bis-
CID 424649
1-Naphthalenepropylamine, gamma,gamma'-nitrilodimethylenebis(N-benzyl-gamma-isopropyl-N-methyl-
CID 36406
1-Naphthalenepropylamine, gamma,gamma'-nitrilodimethylenebis(N,N-diisopropyl-gamma-(2-(diisopropylamino)ethyl)-
CID 214484
gamma,gamma'-Nitrilodimethylenebis(N,N-dimethyl-gamma-isopropyl-2-naphthalenepropylamine)
CID 3056629
6-[(2R)-2-[1-(4-methylcyclohexyl)-3,4-dihydroisoquinolin-7-yl]cyclopropyl]naphthalene-2-carboxamidine
CID 3010984
N-Methyl-N-naphthalen-1-ylmethyl-N'-naphthalen-2-ylmethylene-hydrazine
CID 9579152
(R)-(-)-2-({[(4-Fluorophenyl)ethyl]imino}methyl)naphthalene
CID 139062258
N-benzyl-1-naphthalen-2-ylmethanimine oxide
CID 49856683
2,4-dimethyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614091
3-methyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614103

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine (CID 139062254) is 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine is C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.C[C@H](/N=C/c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is LFKDPUVAIPVATG-FKDMUHLJSA-N. The full InChI is InChI=1S/4C19H17N/c4*1-15(17-7-3-2-4-8-17)20-14-16-11-12-18-9-5-6-10-19(18)13-16/h4*2-15H,1H3/b4*20-14+/t4*15-/m0000/s1.
What are the key properties of 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine?
1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 1037.41 g/mol, XLogP of 20.08, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 139062254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).