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

C14H20ClN — CID 107102445

IUPAC1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1cccc(Cl)c1C
InChIInChI=1S/C14H20ClN/c1-4-5-6-10-14(16-3)12-8-7-9-13(15)11(12)2/h4,7-9,14,16H,1,5-6,10H2,2-3H3
InChIKeyWDXRAEGJENKXGM-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.27
Rot. Bonds6

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

1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine (PubChem CID 107102445) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine
PubChem CID107102445
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1cccc(Cl)c1C
InChIInChI=1S/C14H20ClN/c1-4-5-6-10-14(16-3)12-8-7-9-13(15)11(12)2/h4,7-9,14,16H,1,5-6,10H2,2-3H3
InChIKeyWDXRAEGJENKXGM-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165
1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 107985039
1-(3-bromo-2-methylphenyl)-N-methylpent-4-en-1-amine
CID 104987320
1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107102959
1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine
CID 81491489
1-(3-chloro-2-methylphenyl)-N-ethylbut-3-en-1-amine
CID 107102109
N-methyl-1-quinolin-5-ylhex-5-en-1-amine
CID 105153263
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 107102055
1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009145
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
CID 107011816

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine (CID 107102445) is 1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine?
The InChIKey is WDXRAEGJENKXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-4-5-6-10-14(16-3)12-8-7-9-13(15)11(12)2/h4,7-9,14,16H,1,5-6,10H2,2-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine?
1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine has a molecular weight of 237.77 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine is sourced from PubChem (CID 107102445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).