N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine

C19H17N — CID 139081062

IUPACN-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
SMILESC[C@H](/N=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H17N/c1-15(20-14-16-8-3-2-4-9-16)18-13-7-11-17-10-5-6-12-19(17)18/h2-15H,1H3/b20-14+/t15-/m0/s1
InChIKeyVUPXNRJHURLJGC-AUQXIXNCSA-N
MW259.35 g/mol
LogP5.02
Rot. Bonds3

About N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine

N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine (PubChem CID 139081062) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
PubChem CID139081062
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC NameN-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
SMILESC[C@H](/N=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H17N/c1-15(20-14-16-8-3-2-4-9-16)18-13-7-11-17-10-5-6-12-19(17)18/h2-15H,1H3/b20-14+/t15-/m0/s1
InChIKeyVUPXNRJHURLJGC-AUQXIXNCSA-N
XLogP5.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-yl-N-[(1S)-1-naphthalen-1-ylethyl]methanimine
CID 139062261
N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine
CID 14974267
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
CID 10637187
N-(1-naphthalen-1-ylethyl)methanimine
CID 90898908
2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol
CID 136745252
1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene
CID 102229934
N-(dinaphthalen-1-ylmethyl)-1-naphthalen-2-ylmethanimine
CID 139964651
5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]pyridin-3-ol
CID 135828935
CID 16688127
CID 16688127
N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine
CID 22483010
1-(benzylideneamino)ethanol
CID 66697160
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine?
The IUPAC name of N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine (CID 139081062) is N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine?
The canonical SMILES for N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine is C[C@H](/N=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine?
The InChIKey is VUPXNRJHURLJGC-AUQXIXNCSA-N. The full InChI is InChI=1S/C19H17N/c1-15(20-14-16-8-3-2-4-9-16)18-13-7-11-17-10-5-6-12-19(17)18/h2-15H,1H3/b20-14+/t15-/m0/s1.
What are the key properties of N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine?
N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine has a molecular weight of 259.35 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine is sourced from PubChem (CID 139081062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).