N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

C18H28ClN — CID 107177855

IUPACN-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)cc1C)C1CCCC1C
InChIInChI=1S/C18H28ClN/c1-5-9-20-18(15-8-6-7-12(15)2)16-10-14(4)17(19)11-13(16)3/h10-12,15,18,20H,5-9H2,1-4H3
InChIKeyYVHZFRMXZOUNDG-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.43
Rot. Bonds5

About N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107177855) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107177855
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)cc1C)C1CCCC1C
InChIInChI=1S/C18H28ClN/c1-5-9-20-18(15-8-6-7-12(15)2)16-10-14(4)17(19)11-13(16)3/h10-12,15,18,20H,5-9H2,1-4H3
InChIKeyYVHZFRMXZOUNDG-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.43
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-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 107178295
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177620
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
N-[(2-methylcyclopentyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 107177517
N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188961
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107177855) is N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1cc(C)c(Cl)cc1C)C1CCCC1C.
What is the InChIKey of N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is YVHZFRMXZOUNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-5-9-20-18(15-8-6-7-12(15)2)16-10-14(4)17(19)11-13(16)3/h10-12,15,18,20H,5-9H2,1-4H3.
What are the key properties of N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107177855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).