2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine

C15H24ClN — CID 83169265

IUPAC2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
SMILESCC(C)CCCC(CN)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClN/c1-12(2)6-5-7-13(11-17)10-14-8-3-4-9-15(14)16/h3-4,8-9,12-13H,5-7,10-11,17H2,1-2H3
InChIKeyHYONJKJWOFCUII-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.28
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine

2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine (PubChem CID 83169265) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
PubChem CID83169265
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
SMILESCC(C)CCCC(CN)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClN/c1-12(2)6-5-7-13(11-17)10-14-8-3-4-9-15(14)16/h3-4,8-9,12-13H,5-7,10-11,17H2,1-2H3
InChIKeyHYONJKJWOFCUII-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine (CID 83169265) is 2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine is CC(C)CCCC(CN)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine?
The InChIKey is HYONJKJWOFCUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-12(2)6-5-7-13(11-17)10-14-8-3-4-9-15(14)16/h3-4,8-9,12-13H,5-7,10-11,17H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine?
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.28, 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]-6-methylheptan-1-amine is sourced from PubChem (CID 83169265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).