N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine

C19H30ClN — CID 64775232

IUPACN-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)C1CCC(CC)CC1
InChIInChI=1S/C19H30ClN/c1-3-13-21-19(14-16-7-11-18(20)12-8-16)17-9-5-15(4-2)6-10-17/h7-8,11-12,15,17,19,21H,3-6,9-10,13-14H2,1-2H3
InChIKeySQXHGIDRUUPPJP-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.47
Rot. Bonds7

About N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine

N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine (PubChem CID 64775232) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
PubChem CID64775232
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)C1CCC(CC)CC1
InChIInChI=1S/C19H30ClN/c1-3-13-21-19(14-16-7-11-18(20)12-8-16)17-9-5-15(4-2)6-10-17/h7-8,11-12,15,17,19,21H,3-6,9-10,13-14H2,1-2H3
InChIKeySQXHGIDRUUPPJP-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129
[2-(4-chlorophenyl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105232365
N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63416041
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 64776038
N-[1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 65393126
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine (CID 64775232) is N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)C1CCC(CC)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is SQXHGIDRUUPPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-3-13-21-19(14-16-7-11-18(20)12-8-16)17-9-5-15(4-2)6-10-17/h7-8,11-12,15,17,19,21H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 64775232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).