1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine

C15H24ClN — CID 107102165

IUPAC1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1cccc(Cl)c1C
InChIInChI=1S/C15H24ClN/c1-4-5-6-7-11-15(17-3)13-9-8-10-14(16)12(13)2/h8-10,15,17H,4-7,11H2,1-3H3
InChIKeySATVEQGWDKRFLV-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.88
Rot. Bonds7

About 1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine

1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine (PubChem CID 107102165) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
PubChem CID107102165
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1cccc(Cl)c1C
InChIInChI=1S/C15H24ClN/c1-4-5-6-7-11-15(17-3)13-9-8-10-14(16)12(13)2/h8-10,15,17H,4-7,11H2,1-3H3
InChIKeySATVEQGWDKRFLV-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dichlorophenyl)-N-methyloctan-1-amine
CID 115832250
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine
CID 107102445
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107102959
1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
CID 79591637
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
CID 107101962

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine (CID 107102165) is 1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine is CCCCCCC(NC)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine?
The InChIKey is SATVEQGWDKRFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-5-6-7-11-15(17-3)13-9-8-10-14(16)12(13)2/h8-10,15,17H,4-7,11H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine?
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.88, 7 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-methylheptan-1-amine is sourced from PubChem (CID 107102165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).