N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine

C19H30ClN — CID 104992258

IUPACN-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)C1CCCC(CC)C1
InChIInChI=1S/C19H30ClN/c1-4-11-21-19(16-8-6-7-15(5-2)12-16)17-10-9-14(3)18(20)13-17/h9-10,13,15-16,19,21H,4-8,11-12H2,1-3H3
InChIKeyYKDLDTOUKRUBDV-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.91
Rot. Bonds6

About N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine

N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 104992258) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID104992258
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)C1CCCC(CC)C1
InChIInChI=1S/C19H30ClN/c1-4-11-21-19(16-8-6-7-15(5-2)12-16)17-10-9-14(3)18(20)13-17/h9-10,13,15-16,19,21H,4-8,11-12H2,1-3H3
InChIKeyYKDLDTOUKRUBDV-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

N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085
N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 115567623
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105156132
[(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105313068
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107561829
N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 107560350
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
N-[(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 105156216
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 104992292

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine (CID 104992258) is N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(Cl)c1)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is YKDLDTOUKRUBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-4-11-21-19(16-8-6-7-15(5-2)12-16)17-10-9-14(3)18(20)13-17/h9-10,13,15-16,19,21H,4-8,11-12H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine?
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine 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)-(3-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 104992258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).