[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol

C15H23NO — CID 113365810

IUPAC[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
SMILESCC1(C)CCCC1NCc1ccc(CO)cc1
InChIInChI=1S/C15H23NO/c1-15(2)9-3-4-14(15)16-10-12-5-7-13(11-17)8-6-12/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeyUTZKHRVGOSAAQF-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.85
Rot. Bonds4

About [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol

[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol (PubChem CID 113365810) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
PubChem CID113365810
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
SMILESCC1(C)CCCC1NCc1ccc(CO)cc1
InChIInChI=1S/C15H23NO/c1-15(2)9-3-4-14(15)16-10-12-5-7-13(11-17)8-6-12/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeyUTZKHRVGOSAAQF-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076
2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 79831906
[4-[[(4,4-dimethylthian-3-yl)amino]methyl]phenyl]methanol
CID 107229911
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79860887
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]cyclopentan-1-amine
CID 105378566
[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836
2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 79857291
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086

Frequently Asked Questions

What is the IUPAC name of [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol (CID 113365810) is [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol is CC1(C)CCCC1NCc1ccc(CO)cc1.
What is the InChIKey of [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol?
The InChIKey is UTZKHRVGOSAAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2)9-3-4-14(15)16-10-12-5-7-13(11-17)8-6-12/h5-8,14,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol?
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol has a molecular weight of 233.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 113365810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).