N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine

C19H30ClN — CID 107560350

IUPACN-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine
SMILESCCCC1CCC(C(NCC)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C19H30ClN/c1-4-6-15-8-11-16(12-9-15)19(21-5-2)17-10-7-14(3)18(20)13-17/h7,10,13,15-16,19,21H,4-6,8-9,11-12H2,1-3H3
InChIKeyJWDGJXUPNWXQIZ-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.91
Rot. Bonds6

About N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine

N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine (PubChem CID 107560350) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine
PubChem CID107560350
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine
SMILESCCCC1CCC(C(NCC)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C19H30ClN/c1-4-6-15-8-11-16(12-9-15)19(21-5-2)17-10-7-14(3)18(20)13-17/h7,10,13,15-16,19,21H,4-6,8-9,11-12H2,1-3H3
InChIKeyJWDGJXUPNWXQIZ-UHFFFAOYSA-N
XLogP5.91
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 ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 107562364
[(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105313068
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 107128810
N-[(3,4-dichlorophenyl)-(4,4-dimethylcyclohexyl)methyl]ethanamine
CID 65392424
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
N-[(3-chloro-4-iodophenyl)-cycloheptylmethyl]ethanamine
CID 103216098
N-[(3-chloro-4-methylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]ethanamine
CID 107560540

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine (CID 107560350) is N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine is CCCC1CCC(C(NCC)c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine?
The InChIKey is JWDGJXUPNWXQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-4-6-15-8-11-16(12-9-15)19(21-5-2)17-10-7-14(3)18(20)13-17/h7,10,13,15-16,19,21H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine has a molecular weight of 307.91 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 107560350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).