2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one

C17H25NO2 — CID 114950447

IUPAC2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-13-6-8-15(9-7-13)16(19)14(2)18(3)12-17(20)10-4-5-11-17/h6-9,14,20H,4-5,10-12H2,1-3H3
InChIKeyFOVOEVJEKDGPDH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.80
Rot. Bonds5

About 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one

2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one (PubChem CID 114950447) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
PubChem CID114950447
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-13-6-8-15(9-7-13)16(19)14(2)18(3)12-17(20)10-4-5-11-17/h6-9,14,20H,4-5,10-12H2,1-3H3
InChIKeyFOVOEVJEKDGPDH-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82476146
1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948033
1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207733
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109
1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948239
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 115758694
3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
CID 114953371
2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796890
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 104552670
N-carbamoyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 115758525
2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide
CID 114949527
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one (CID 114950447) is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N(C)CC2(O)CCCC2)cc1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is FOVOEVJEKDGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-6-8-15(9-7-13)16(19)14(2)18(3)12-17(20)10-4-5-11-17/h6-9,14,20H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 114950447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).