2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol

C16H25NO3 — CID 114331934

IUPAC2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
SMILESOc1ccccc1CNCC(O)COC1CCCCC1
InChIInChI=1S/C16H25NO3/c18-14(12-20-15-7-2-1-3-8-15)11-17-10-13-6-4-5-9-16(13)19/h4-6,9,14-15,17-19H,1-3,7-8,10-12H2
InChIKeyNCNUSZPCCAUWEC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.19
Rot. Bonds7

About 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol

2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol (PubChem CID 114331934) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
PubChem CID114331934
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
SMILESOc1ccccc1CNCC(O)COC1CCCCC1
InChIInChI=1S/C16H25NO3/c18-14(12-20-15-7-2-1-3-8-15)11-17-10-13-6-4-5-9-16(13)19/h4-6,9,14-15,17-19H,1-3,7-8,10-12H2
InChIKeyNCNUSZPCCAUWEC-UHFFFAOYSA-N
XLogP2.19
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 79748980
1-cyclopentyloxy-3-[(3-ethyl-2-pyridinyl)methylamino]propan-2-ol
CID 82738008
1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633099
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633001
1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol
CID 62538630
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]benzonitrile
CID 60918103
1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 115989616
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol?
The IUPAC name of 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol (CID 114331934) is 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol is Oc1ccccc1CNCC(O)COC1CCCCC1.
What is the InChIKey of 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol?
The InChIKey is NCNUSZPCCAUWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-14(12-20-15-7-2-1-3-8-15)11-17-10-13-6-4-5-9-16(13)19/h4-6,9,14-15,17-19H,1-3,7-8,10-12H2.
What are the key properties of 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol?
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol has a molecular weight of 279.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol is sourced from PubChem (CID 114331934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).