1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine

C14H20ClN — CID 114474158

IUPAC1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C14H20ClN/c1-11(2)7-8-14(16-3)10-12-5-4-6-13(15)9-12/h4-6,9,14,16H,1,7-8,10H2,2-3H3
InChIKeyQDISSSUQSPGJHN-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.83
Rot. Bonds6

About 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine

1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine (PubChem CID 114474158) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
PubChem CID114474158
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C14H20ClN/c1-11(2)7-8-14(16-3)10-12-5-4-6-13(15)9-12/h4-6,9,14,16H,1,7-8,10H2,2-3H3
InChIKeyQDISSSUQSPGJHN-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474589
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62234060
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999
1-(3-chlorophenyl)-4-methylpent-4-en-2-ol
CID 79178681
1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine
CID 105182676
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009058
1-(3-chlorophenyl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 54919483

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine (CID 114474158) is 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine is C=C(C)CCC(Cc1cccc(Cl)c1)NC.
What is the InChIKey of 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine?
The InChIKey is QDISSSUQSPGJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11(2)7-8-14(16-3)10-12-5-4-6-13(15)9-12/h4-6,9,14,16H,1,7-8,10H2,2-3H3.
What are the key properties of 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine?
1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine has a molecular weight of 237.77 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine is sourced from PubChem (CID 114474158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).