[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol

C13H21NO2 — CID 115717750

IUPAC[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
SMILESCCC(COC)NCc1cccc(CO)c1
InChIInChI=1S/C13H21NO2/c1-3-13(10-16-2)14-8-11-5-4-6-12(7-11)9-15/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeyFPUZTBMXJPDPDC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds7

About [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol

[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol (PubChem CID 115717750) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
PubChem CID115717750
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
SMILESCCC(COC)NCc1cccc(CO)c1
InChIInChI=1S/C13H21NO2/c1-3-13(10-16-2)14-8-11-5-4-6-12(7-11)9-15/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeyFPUZTBMXJPDPDC-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
CID 113243238
[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
2-[(3-methylphenyl)methylamino]butyl 2-methoxyacetate
CID 82533304
N-[(3-chloro-4-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 106816854
3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 106191012
2-[(3-ethylphenyl)methylamino]propane-1,3-diol
CID 71028738
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
2-[(3-methylphenyl)methylamino]butyl acetate
CID 82533309

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol (CID 115717750) is [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol is CCC(COC)NCc1cccc(CO)c1.
What is the InChIKey of [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol?
The InChIKey is FPUZTBMXJPDPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-13(10-16-2)14-8-11-5-4-6-12(7-11)9-15/h4-7,13-15H,3,8-10H2,1-2H3.
What are the key properties of [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol?
[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 115717750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).