1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine

C20H14ClN — CID 18915628

IUPAC1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine
SMILESClc1cccc(/C=N/CC#Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H14ClN/c21-20-9-3-5-17(14-20)15-22-12-4-6-16-10-11-18-7-1-2-8-19(18)13-16/h1-3,5,7-11,13-15H,12H2/b22-15+
InChIKeyOWALEEBOOSCVLX-PXLXIMEGSA-N
MW303.79 g/mol
LogP4.96
Rot. Bonds2

About 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine

1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine (PubChem CID 18915628) has the molecular formula C20H14ClN and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine
PubChem CID18915628
Molecular FormulaC20H14ClN
Molecular Weight303.79 g/mol
Exact Mass303.08
IUPAC Name1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine
SMILESClc1cccc(/C=N/CC#Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H14ClN/c21-20-9-3-5-17(14-20)15-22-12-4-6-16-10-11-18-7-1-2-8-19(18)13-16/h1-3,5,7-11,13-15H,12H2/b22-15+
InChIKeyOWALEEBOOSCVLX-PXLXIMEGSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine
CID 18915692
(NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine
CID 15181387
N-(3-naphthalen-1-ylprop-2-ynyl)-1-phenylmethanimine
CID 18915625
N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine
CID 18915631
4-naphthalen-2-ylbut-3-ynenitrile
CID 170474971
N-[3-(5-bromothiophen-3-yl)prop-2-ynyl]-1-phenylmethanimine
CID 18915515
2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene
CID 59413225
1-(3-azidoprop-1-ynyl)-3-chlorobenzene
CID 150387081
2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene
CID 102390272
4-naphthalen-2-ylbut-3-ynoic acid
CID 162688593
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
2-hex-1-ynylnaphthalene
CID 15311977

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine (CID 18915628) is 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine is Clc1cccc(/C=N/CC#Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine?
The InChIKey is OWALEEBOOSCVLX-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H14ClN/c21-20-9-3-5-17(14-20)15-22-12-4-6-16-10-11-18-7-1-2-8-19(18)13-16/h1-3,5,7-11,13-15H,12H2/b22-15+.
What are the key properties of 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine?
1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine has a molecular weight of 303.79 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine is sourced from PubChem (CID 18915628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).