[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol

C18H27NO2 — CID 107230893

IUPAC[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c20-14-16-6-4-15(5-7-16)13-19-17-8-11-21-18(12-17)9-2-1-3-10-18/h4-7,17,19-20H,1-3,8-14H2
InChIKeyOEHKKUSIYHXLNV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.15
Rot. Bonds4

About [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol

[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol (PubChem CID 107230893) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
PubChem CID107230893
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c20-14-16-6-4-15(5-7-16)13-19-17-8-11-21-18(12-17)9-2-1-3-10-18/h4-7,17,19-20H,1-3,8-14H2
InChIKeyOEHKKUSIYHXLNV-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Ethoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
CID 44426817
2-(Benzylamino)-1-phenylethanol
CID 229746
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
2-[4-(Phenyl-piperazin-1-yl-methyl)-phenyl]-propan-2-ol
CID 10662763
2-[1-(4-Ethylphenyl)propan-2-ylamino]-1-phenylethanol;hydrate
CID 44522701
2-[(4-Biphenylylmethyl)amino]-1-phenylethanol hydrochloride
CID 2978543
N-Isobutyl-1,2-diphenylethanolamine
CID 3036007
(1S)-2-(benzylamino)-1-phenylethan-1-ol
CID 6922304
3-Morpholineethanol, alpha-phenyl-
CID 71756244
(1R)-2-(benzylamino)-1-phenylethan-1-ol
CID 6922302
1-[(4-Methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol
CID 4242936

Frequently Asked Questions

What is the IUPAC name of [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol (CID 107230893) is [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol is OCc1ccc(CNC2CCOC3(CCCCC3)C2)cc1.
What is the InChIKey of [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol?
The InChIKey is OEHKKUSIYHXLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-14-16-6-4-15(5-7-16)13-19-17-8-11-21-18(12-17)9-2-1-3-10-18/h4-7,17,19-20H,1-3,8-14H2.
What are the key properties of [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol?
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol has a molecular weight of 289.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107230893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).