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

C19H30ClN — CID 65424593

IUPACN-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H30ClN/c1-4-13-21-19(17-9-11-18(20)12-10-17)16-7-5-15(6-8-16)14(2)3/h9-12,14-16,19,21H,4-8,13H2,1-3H3
InChIKeyATJLEFDMOWPCJX-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.84
Rot. Bonds6

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

N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine (PubChem CID 65424593) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
PubChem CID65424593
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H30ClN/c1-4-13-21-19(17-9-11-18(20)12-10-17)16-7-5-15(6-8-16)14(2)3/h9-12,14-16,19,21H,4-8,13H2,1-3H3
InChIKeyATJLEFDMOWPCJX-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
CID 115898611
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
CID 115898470
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine
CID 63477442
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine (CID 65424593) is N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
The InChIKey is ATJLEFDMOWPCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-4-13-21-19(17-9-11-18(20)12-10-17)16-7-5-15(6-8-16)14(2)3/h9-12,14-16,19,21H,4-8,13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 65424593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).