[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol

C17H25NO3 — CID 107230719

IUPAC[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C17H25NO3/c19-13-15-3-1-2-14(10-15)12-18-16-4-7-21-17(11-16)5-8-20-9-6-17/h1-3,10,16,18-19H,4-9,11-13H2
InChIKeyYQXVPWIRFFQJFB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.00
Rot. Bonds4

About [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol

[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol (PubChem CID 107230719) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
PubChem CID107230719
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C17H25NO3/c19-13-15-3-1-2-14(10-15)12-18-16-4-7-21-17(11-16)5-8-20-9-6-17/h1-3,10,16,18-19H,4-9,11-13H2
InChIKeyYQXVPWIRFFQJFB-UHFFFAOYSA-N
XLogP2.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol with MolForge

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Related Compounds

(4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96577043
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908
4-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]benzonitrile
CID 79902616
N-[2-(3-methylphenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79899591
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
(4R)-N-(4-phenylbutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578536
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
CID 107230514
N-[(4,5-dimethylthiophen-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903616
N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903039
[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
CID 107229792

Frequently Asked Questions

What is the IUPAC name of [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol (CID 107230719) is [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol is OCc1cccc(CNC2CCOC3(CCOCC3)C2)c1.
What is the InChIKey of [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol?
The InChIKey is YQXVPWIRFFQJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-13-15-3-1-2-14(10-15)12-18-16-4-7-21-17(11-16)5-8-20-9-6-17/h1-3,10,16,18-19H,4-9,11-13H2.
What are the key properties of [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol?
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol has a molecular weight of 291.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107230719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).