N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine

C18H28ClN — CID 43434325

IUPACN-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCCC(NC1CC(C)CC(C)(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN/c1-5-17(14-6-8-15(19)9-7-14)20-16-10-13(2)11-18(3,4)12-16/h6-9,13,16-17,20H,5,10-12H2,1-4H3
InChIKeyURQGYXZURJZULH-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.60
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine

N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 43434325) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine
PubChem CID43434325
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCCC(NC1CC(C)CC(C)(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN/c1-5-17(14-6-8-15(19)9-7-14)20-16-10-13(2)11-18(3,4)12-16/h6-9,13,16-17,20H,5,10-12H2,1-4H3
InChIKeyURQGYXZURJZULH-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Norchlorcyclizine
CID 9340
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Clobenzorex
CID 735998
4-chloro-N-cyclopentylbenzylamine
CID 834083
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
3-Dechloro Sertraline Hydrochloride
CID 13408710
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
Benzyl-(4-chloro-benzyl)-amine
CID 816344
N-((4-chlorophenyl)methyl)cyclopropanamine
CID 4719970
N-Desmethylsibutramine
CID 10199199

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine (CID 43434325) is N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine is CCC(NC1CC(C)CC(C)(C)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is URQGYXZURJZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-5-17(14-6-8-15(19)9-7-14)20-16-10-13(2)11-18(3,4)12-16/h6-9,13,16-17,20H,5,10-12H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine?
N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 43434325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).