N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine

C16H24ClN — CID 81027108

IUPACN-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-2-11-18-12-14-5-3-4-6-16(14)13-7-9-15(17)10-8-13/h7-10,14,16,18H,2-6,11-12H2,1H3
InChIKeyCEWUDNKSFJFARP-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.61
Rot. Bonds5

About N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine

N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81027108) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81027108
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-2-11-18-12-14-5-3-4-6-16(14)13-7-9-15(17)10-8-13/h7-10,14,16,18H,2-6,11-12H2,1H3
InChIKeyCEWUDNKSFJFARP-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.61
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

N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027639
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025016
N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81026587
N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81026756
N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
CID 107561131
N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81027905
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
CID 115375664

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine (CID 81027108) is N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1c1ccc(Cl)cc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is CEWUDNKSFJFARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-11-18-12-14-5-3-4-6-16(14)13-7-9-15(17)10-8-13/h7-10,14,16,18H,2-6,11-12H2,1H3.
What are the key properties of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81027108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).