4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol

C17H27NO2 — CID 104862000

IUPAC4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCC1CCCC(O)C1
InChIInChI=1S/C17H27NO2/c1-13(5-6-14-7-9-16(19)10-8-14)18-12-15-3-2-4-17(20)11-15/h7-10,13,15,17-20H,2-6,11-12H2,1H3
InChIKeyURXMWVZVWYWQAK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.85
Rot. Bonds6

About 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol

4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol (PubChem CID 104862000) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol
PubChem CID104862000
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCC1CCCC(O)C1
InChIInChI=1S/C17H27NO2/c1-13(5-6-14-7-9-16(19)10-8-14)18-12-15-3-2-4-17(20)11-15/h7-10,13,15,17-20H,2-6,11-12H2,1H3
InChIKeyURXMWVZVWYWQAK-UHFFFAOYSA-N
XLogP2.85
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
CID 104924912
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
CID 103271353
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
CID 75428345
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 102612821
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
4-[(3S)-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methylamino]butyl]phenol
CID 99640383
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
CID 43317708
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol (CID 104862000) is 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol is CC(CCc1ccc(O)cc1)NCC1CCCC(O)C1.
What is the InChIKey of 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol?
The InChIKey is URXMWVZVWYWQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(5-6-14-7-9-16(19)10-8-14)18-12-15-3-2-4-17(20)11-15/h7-10,13,15,17-20H,2-6,11-12H2,1H3.
What are the key properties of 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol?
4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol has a molecular weight of 277.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol is sourced from PubChem (CID 104862000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).