(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone

C14H18ClNO — CID 107561390

IUPAC(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(C)CCCC2N)cc1Cl
InChIInChI=1S/C14H18ClNO/c1-9-5-6-10(8-11(9)15)13(17)14(2)7-3-4-12(14)16/h5-6,8,12H,3-4,7,16H2,1-2H3
InChIKeyJNHMEVJPQLPAPV-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.35
Rot. Bonds2

About (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone

(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone (PubChem CID 107561390) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone
PubChem CID107561390
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(C)CCCC2N)cc1Cl
InChIInChI=1S/C14H18ClNO/c1-9-5-6-10(8-11(9)15)13(17)14(2)7-3-4-12(14)16/h5-6,8,12H,3-4,7,16H2,1-2H3
InChIKeyJNHMEVJPQLPAPV-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-1-methylcyclopentyl)-(4-chlorophenyl)methanone
CID 116607206
2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763741
(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
CID 116607273
(2-amino-1-methylcyclopentyl)-(furan-3-yl)methanone
CID 116607397
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
CID 107561270
(2-amino-1-methylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114737310
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 107561340
2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765908
(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 107559882
3-chloro-4-methylbenzamide;ethane
CID 162191867

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone (CID 107561390) is (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)C2(C)CCCC2N)cc1Cl.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone?
The InChIKey is JNHMEVJPQLPAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-9-5-6-10(8-11(9)15)13(17)14(2)7-3-4-12(14)16/h5-6,8,12H,3-4,7,16H2,1-2H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone?
(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone has a molecular weight of 251.76 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 107561390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).