4-[(cyclopentylamino)methyl]phenol

C12H17NO — CID 3873791

IUPAC4-[(cyclopentylamino)methyl]phenol
SMILESOc1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C12H17NO/c14-12-7-5-10(6-8-12)9-13-11-3-1-2-4-11/h5-8,11,13-14H,1-4,9H2
InChIKeyCKVFFZPVCCWEHW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.42
Rot. Bonds3

About 4-[(cyclopentylamino)methyl]phenol

4-[(cyclopentylamino)methyl]phenol (PubChem CID 3873791) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[(cyclopentylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(cyclopentylamino)methyl]phenol
PubChem CID3873791
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[(cyclopentylamino)methyl]phenol
SMILESOc1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C12H17NO/c14-12-7-5-10(6-8-12)9-13-11-3-1-2-4-11/h5-8,11,13-14H,1-4,9H2
InChIKeyCKVFFZPVCCWEHW-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
4-[[(3-aminocyclohexyl)amino]methyl]phenol
CID 114331392
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol
CID 114331396
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylamino)methyl]phenol?
The IUPAC name of 4-[(cyclopentylamino)methyl]phenol (CID 3873791) is 4-[(cyclopentylamino)methyl]phenol.
What is the SMILES notation for 4-[(cyclopentylamino)methyl]phenol?
The canonical SMILES for 4-[(cyclopentylamino)methyl]phenol is Oc1ccc(CNC2CCCC2)cc1.
What is the InChIKey of 4-[(cyclopentylamino)methyl]phenol?
The InChIKey is CKVFFZPVCCWEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-7-5-10(6-8-12)9-13-11-3-1-2-4-11/h5-8,11,13-14H,1-4,9H2.
What are the key properties of 4-[(cyclopentylamino)methyl]phenol?
4-[(cyclopentylamino)methyl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylamino)methyl]phenol is sourced from PubChem (CID 3873791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).