1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine

C16H24ClN — CID 104987124

IUPAC1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1cccc(C)c1Cl
InChIInChI=1S/C16H24ClN/c1-4-6-7-11-15(18-12-5-2)14-10-8-9-13(3)16(14)17/h4,8-10,15,18H,1,5-7,11-12H2,2-3H3
InChIKeyFMLZARDIGHRQMR-UHFFFAOYSA-N
MW265.83 g/mol
LogP5.05
Rot. Bonds8

About 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine

1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine (PubChem CID 104987124) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
PubChem CID104987124
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1cccc(C)c1Cl
InChIInChI=1S/C16H24ClN/c1-4-6-7-11-15(18-12-5-2)14-10-8-9-13(3)16(14)17/h4,8-10,15,18H,1,5-7,11-12H2,2-3H3
InChIKeyFMLZARDIGHRQMR-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.83
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
1-(2-chloro-3-methylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820969
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028424
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
CID 104986628

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine (CID 104987124) is 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine?
The InChIKey is FMLZARDIGHRQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-4-6-7-11-15(18-12-5-2)14-10-8-9-13(3)16(14)17/h4,8-10,15,18H,1,5-7,11-12H2,2-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine?
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine has a molecular weight of 265.83 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 104987124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).