1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine

C12H14ClN — CID 62234060

IUPAC1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
SMILESC#CCC(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C12H14ClN/c1-3-5-12(14-2)9-10-6-4-7-11(13)8-10/h1,4,6-8,12,14H,5,9H2,2H3
InChIKeyBWGMISFFGVKSHA-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.49
Rot. Bonds4

About 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine

1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine (PubChem CID 62234060) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
PubChem CID62234060
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
SMILESC#CCC(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C12H14ClN/c1-3-5-12(14-2)9-10-6-4-7-11(13)8-10/h1,4,6-8,12,14H,5,9H2,2H3
InChIKeyBWGMISFFGVKSHA-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
1-(4-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62235146
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(3,4-difluorophenyl)-N-methylpent-4-yn-2-amine
CID 114977659
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide
CID 115647113
1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474158
1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
CID 55247955
1-(3-chlorophenyl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 54919483
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine (CID 62234060) is 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine is C#CCC(Cc1cccc(Cl)c1)NC.
What is the InChIKey of 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine?
The InChIKey is BWGMISFFGVKSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-3-5-12(14-2)9-10-6-4-7-11(13)8-10/h1,4,6-8,12,14H,5,9H2,2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine?
1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine has a molecular weight of 207.70 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine is sourced from PubChem (CID 62234060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).