3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol

C16H25NO — CID 82982762

IUPAC3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
SMILESCC(C)CN(Cc1cccc(O)c1)C1CCCC1
InChIInChI=1S/C16H25NO/c1-13(2)11-17(15-7-3-4-8-15)12-14-6-5-9-16(18)10-14/h5-6,9-10,13,15,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyBXKVXKDIAZSJAB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.79
Rot. Bonds5

About 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol

3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol (PubChem CID 82982762) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
PubChem CID82982762
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
SMILESCC(C)CN(Cc1cccc(O)c1)C1CCCC1
InChIInChI=1S/C16H25NO/c1-13(2)11-17(15-7-3-4-8-15)12-14-6-5-9-16(18)10-14/h5-6,9-10,13,15,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyBXKVXKDIAZSJAB-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
3-[[cyclopropyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 55002261
2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 112616382
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
CID 82983460
N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine
CID 58624394
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293
3-[[cyclopentyl(3-methylbutyl)amino]methyl]benzonitrile
CID 78982950
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 10177110
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol (CID 82982762) is 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol is CC(C)CN(Cc1cccc(O)c1)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol?
The InChIKey is BXKVXKDIAZSJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)11-17(15-7-3-4-8-15)12-14-6-5-9-16(18)10-14/h5-6,9-10,13,15,18H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol?
3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 82982762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).