(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone

C14H19NO2 — CID 116607273

IUPAC(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCCC2N)cc1
InChIInChI=1S/C14H19NO2/c1-14(9-3-4-12(14)15)13(16)10-5-7-11(17-2)8-6-10/h5-8,12H,3-4,9,15H2,1-2H3
InChIKeyYMTZMLNIJRMFLQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds3

About (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone

(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone (PubChem CID 116607273) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
PubChem CID116607273
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCCC2N)cc1
InChIInChI=1S/C14H19NO2/c1-14(9-3-4-12(14)15)13(16)10-5-7-11(17-2)8-6-10/h5-8,12H,3-4,9,15H2,1-2H3
InChIKeyYMTZMLNIJRMFLQ-UHFFFAOYSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-1-methylcyclopentyl)-(4-chlorophenyl)methanone
CID 116607206
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 82767463
(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone
CID 107561390
(1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone
CID 20530757
(2-amino-1-methylcyclopentyl)-(furan-3-yl)methanone
CID 116607397
(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762798
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
CID 116607379
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
2-amino-N-(3-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82868221
(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216143
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone (CID 116607273) is (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2(C)CCCC2N)cc1.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone?
The InChIKey is YMTZMLNIJRMFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(9-3-4-12(14)15)13(16)10-5-7-11(17-2)8-6-10/h5-8,12H,3-4,9,15H2,1-2H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone?
(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 116607273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).