1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine

C19H31ClN2 — CID 141181380

IUPAC1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine
SMILESCCNC(C)C1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1
InChIInChI=1S/C19H31ClN2/c1-5-21-14(2)15-6-8-16(9-7-15)19(22(3)4)17-10-12-18(20)13-11-17/h10-16,19,21H,5-9H2,1-4H3
InChIKeyNAICGEPAEKPDHT-UHFFFAOYSA-N
MW322.92 g/mol
LogP4.75
Rot. Bonds6

About 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine

1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine (PubChem CID 141181380) has the molecular formula C19H31ClN2 and a molecular weight of 322.92 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine
PubChem CID141181380
Molecular FormulaC19H31ClN2
Molecular Weight322.92 g/mol
Exact Mass322.22
IUPAC Name1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine
SMILESCCNC(C)C1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1
InChIInChI=1S/C19H31ClN2/c1-5-21-14(2)15-6-8-16(9-7-15)19(22(3)4)17-10-12-18(20)13-11-17/h10-16,19,21H,5-9H2,1-4H3
InChIKeyNAICGEPAEKPDHT-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.92
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine
CID 24739573
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine
CID 74316651
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
CID 65125135
2-bromo-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]benzamide
CID 66993402
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine
CID 62574147

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine?
The IUPAC name of 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine (CID 141181380) is 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine is CCNC(C)C1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine?
The InChIKey is NAICGEPAEKPDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN2/c1-5-21-14(2)15-6-8-16(9-7-15)19(22(3)4)17-10-12-18(20)13-11-17/h10-16,19,21H,5-9H2,1-4H3.
What are the key properties of 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine?
1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine has a molecular weight of 322.92 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine is sourced from PubChem (CID 141181380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).