1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine

C15H24ClNO — CID 114752463

IUPAC1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-5-6-7-8-15(17-2)13-10-9-12(18-3)11-14(13)16/h9-11,15,17H,4-8H2,1-3H3
InChIKeyHNAPOGDQCLZZRV-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.58
Rot. Bonds8

About 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine

1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine (PubChem CID 114752463) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
PubChem CID114752463
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-5-6-7-8-15(17-2)13-10-9-12(18-3)11-14(13)16/h9-11,15,17H,4-8H2,1-3H3
InChIKeyHNAPOGDQCLZZRV-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine (CID 114752463) is 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine is CCCCCCC(NC)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine?
The InChIKey is HNAPOGDQCLZZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-5-6-7-8-15(17-2)13-10-9-12(18-3)11-14(13)16/h9-11,15,17H,4-8H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine?
1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine is sourced from PubChem (CID 114752463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).