1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol

C16H25NO — CID 113321838

IUPAC1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc(C)cc(CN(C)CC2(O)CCCC2)c1
InChIInChI=1S/C16H25NO/c1-13-8-14(2)10-15(9-13)11-17(3)12-16(18)6-4-5-7-16/h8-10,18H,4-7,11-12H2,1-3H3
InChIKeyAMWXYXAAGYCZSQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.04
Rot. Bonds4

About 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol

1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 113321838) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID113321838
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc(C)cc(CN(C)CC2(O)CCCC2)c1
InChIInChI=1S/C16H25NO/c1-13-8-14(2)10-15(9-13)11-17(3)12-16(18)6-4-5-7-16/h8-10,18H,4-7,11-12H2,1-3H3
InChIKeyAMWXYXAAGYCZSQ-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol 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

4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948538
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 114950163
methyl 3-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoate
CID 115758676
1-[[[6-(ethylamino)-3-pyridinyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953204
1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114952614
4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
CID 175662545
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115774269
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916
5-fluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzenecarbothioamide
CID 114949509

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 113321838) is 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol is Cc1cc(C)cc(CN(C)CC2(O)CCCC2)c1.
What is the InChIKey of 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is AMWXYXAAGYCZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-14(2)10-15(9-13)11-17(3)12-16(18)6-4-5-7-16/h8-10,18H,4-7,11-12H2,1-3H3.
What are the key properties of 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 113321838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).