2-[(2-chlorophenyl)methyl]heptan-1-amine

C14H22ClN — CID 63497774

IUPAC2-[(2-chlorophenyl)methyl]heptan-1-amine
SMILESCCCCCC(CN)Cc1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-2-3-4-7-12(11-16)10-13-8-5-6-9-14(13)15/h5-6,8-9,12H,2-4,7,10-11,16H2,1H3
InChIKeyATVHWFGIBYBBJJ-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.04
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]heptan-1-amine

2-[(2-chlorophenyl)methyl]heptan-1-amine (PubChem CID 63497774) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]heptan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]heptan-1-amine
PubChem CID63497774
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name2-[(2-chlorophenyl)methyl]heptan-1-amine
SMILESCCCCCC(CN)Cc1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-2-3-4-7-12(11-16)10-13-8-5-6-9-14(13)15/h5-6,8-9,12H,2-4,7,10-11,16H2,1H3
InChIKeyATVHWFGIBYBBJJ-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.04
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

2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
2-[(2-methoxyphenyl)methyl]undecan-1-amine
CID 63497601
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]heptan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]heptan-1-amine (CID 63497774) is 2-[(2-chlorophenyl)methyl]heptan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]heptan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]heptan-1-amine is CCCCCC(CN)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]heptan-1-amine?
The InChIKey is ATVHWFGIBYBBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-2-3-4-7-12(11-16)10-13-8-5-6-9-14(13)15/h5-6,8-9,12H,2-4,7,10-11,16H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]heptan-1-amine?
2-[(2-chlorophenyl)methyl]heptan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]heptan-1-amine is sourced from PubChem (CID 63497774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).