1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine

C17H14ClNO — CID 18915692

IUPAC1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine
SMILESCOc1ccc(C#CC/N=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H14ClNO/c1-20-17-9-7-14(8-10-17)5-3-11-19-13-15-4-2-6-16(18)12-15/h2,4,6-10,12-13H,11H2,1H3/b19-13+
InChIKeyATVFPCNALPVBPN-CPNJWEJPSA-N
MW283.76 g/mol
LogP3.82
Rot. Bonds3

About 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine

1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine (PubChem CID 18915692) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine
PubChem CID18915692
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine
SMILESCOc1ccc(C#CC/N=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H14ClNO/c1-20-17-9-7-14(8-10-17)5-3-11-19-13-15-4-2-6-16(18)12-15/h2,4,6-10,12-13H,11H2,1H3/b19-13+
InChIKeyATVFPCNALPVBPN-CPNJWEJPSA-N
XLogP3.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine
CID 18915628
(NE)-N-[[3-[2-(4-methoxyphenyl)ethynyl]phenyl]methylidene]hydroxylamine
CID 15181398
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine
CID 18915525
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 126063270
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
CID 165353497
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60800997
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
1-[3-[(4-methoxyphenyl)iminomethyl]phenyl]-N-[(4-methoxyphenyl)methyl]methanimine
CID 160577318

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine (CID 18915692) is 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine is COc1ccc(C#CC/N=C/c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine?
The InChIKey is ATVFPCNALPVBPN-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-20-17-9-7-14(8-10-17)5-3-11-19-13-15-4-2-6-16(18)12-15/h2,4,6-10,12-13H,11H2,1H3/b19-13+.
What are the key properties of 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine?
1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine has a molecular weight of 283.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine is sourced from PubChem (CID 18915692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).