1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine

C19H28ClN — CID 63451555

IUPAC1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
SMILESCCC1CCC(CNC(c2ccc(Cl)cc2)C2CC2)CC1
InChIInChI=1S/C19H28ClN/c1-2-14-3-5-15(6-4-14)13-21-19(16-7-8-16)17-9-11-18(20)12-10-17/h9-12,14-16,19,21H,2-8,13H2,1H3
InChIKeyRHXITFPKXXWTSE-UHFFFAOYSA-N
MW305.89 g/mol
LogP5.60
Rot. Bonds6

About 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine

1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine (PubChem CID 63451555) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
PubChem CID63451555
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC Name1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
SMILESCCC1CCC(CNC(c2ccc(Cl)cc2)C2CC2)CC1
InChIInChI=1S/C19H28ClN/c1-2-14-3-5-15(6-4-14)13-21-19(16-7-8-16)17-9-11-18(20)12-10-17/h9-12,14-16,19,21H,2-8,13H2,1H3
InChIKeyRHXITFPKXXWTSE-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.89
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
CID 63451823
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
CID 111478453
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol
CID 64927634
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
CID 115898611
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252007
N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
CID 104990929

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine (CID 63451555) is 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine is CCC1CCC(CNC(c2ccc(Cl)cc2)C2CC2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine?
The InChIKey is RHXITFPKXXWTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN/c1-2-14-3-5-15(6-4-14)13-21-19(16-7-8-16)17-9-11-18(20)12-10-17/h9-12,14-16,19,21H,2-8,13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine?
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine has a molecular weight of 305.89 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 63451555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).