N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine

C18H28ClN — CID 106827637

IUPACN-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1(C)CCCCC1
InChIInChI=1S/C18H28ClN/c1-3-12-20-17(18(2)10-5-4-6-11-18)14-15-8-7-9-16(19)13-15/h7-9,13,17,20H,3-6,10-12,14H2,1-2H3
InChIKeyOSBPRDRIWVMIAP-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.22
Rot. Bonds6

About N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine

N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine (PubChem CID 106827637) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
PubChem CID106827637
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1(C)CCCCC1
InChIInChI=1S/C18H28ClN/c1-3-12-20-17(18(2)10-5-4-6-11-18)14-15-8-7-9-16(19)13-15/h7-9,13,17,20H,3-6,10-12,14H2,1-2H3
InChIKeyOSBPRDRIWVMIAP-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 107311930
2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827634
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198
N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830512
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106827647
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine (CID 106827637) is N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)C1(C)CCCCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is OSBPRDRIWVMIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-3-12-20-17(18(2)10-5-4-6-11-18)14-15-8-7-9-16(19)13-15/h7-9,13,17,20H,3-6,10-12,14H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 106827637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).