2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol

C16H25NO3 — CID 111477808

IUPAC2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol
SMILESCOCC(C)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C16H25NO3/c1-12(11-19-2)17-13-7-9-14(10-8-13)20-16-6-4-3-5-15(16)18/h7-10,12,15-18H,3-6,11H2,1-2H3
InChIKeyWKZJFOHBAJRDKA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.82
Rot. Bonds6

About 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol

2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol (PubChem CID 111477808) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol
PubChem CID111477808
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol
SMILESCOCC(C)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C16H25NO3/c1-12(11-19-2)17-13-7-9-14(10-8-13)20-16-6-4-3-5-15(16)18/h7-10,12,15-18H,3-6,11H2,1-2H3
InChIKeyWKZJFOHBAJRDKA-UHFFFAOYSA-N
XLogP2.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol
CID 110013529
cis-(1S,2R)-2-[4-[[(1S)-1-(3,5-difluorophenyl)ethyl]amino]phenoxy]cyclohexan-1-ol
CID 124744406
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
CID 95772065
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60880419
2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol
CID 115494554
2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol
CID 110011606
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 100706518

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol (CID 111477808) is 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol is COCC(C)Nc1ccc(OC2CCCCC2O)cc1.
What is the InChIKey of 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol?
The InChIKey is WKZJFOHBAJRDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(11-19-2)17-13-7-9-14(10-8-13)20-16-6-4-3-5-15(16)18/h7-10,12,15-18H,3-6,11H2,1-2H3.
What are the key properties of 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol?
2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 111477808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).