N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine

C16H24ClN — CID 63477442

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine
SMILESCCCCC(C)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H24ClN/c1-3-4-5-12(2)18-16(13-6-7-13)14-8-10-15(17)11-9-14/h8-13,16,18H,3-7H2,1-2H3
InChIKeyJSDNOTLZKUSQTL-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.96
Rot. Bonds7

About N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine (PubChem CID 63477442) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine
PubChem CID63477442
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine
SMILESCCCCC(C)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H24ClN/c1-3-4-5-12(2)18-16(13-6-7-13)14-8-10-15(17)11-9-14/h8-13,16,18H,3-7H2,1-2H3
InChIKeyJSDNOTLZKUSQTL-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534404
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676
N-(1-cyclopropylethyl)hexan-2-amine
CID 43776552

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine (CID 63477442) is N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine is CCCCC(C)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine?
The InChIKey is JSDNOTLZKUSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-4-5-12(2)18-16(13-6-7-13)14-8-10-15(17)11-9-14/h8-13,16,18H,3-7H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine has a molecular weight of 265.83 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine is sourced from PubChem (CID 63477442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).