1-[(2-methoxyphenyl)methylamino]pentan-3-ol

C13H21NO2 — CID 115703090

IUPAC1-[(2-methoxyphenyl)methylamino]pentan-3-ol
SMILESCCC(O)CCNCc1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-3-12(15)8-9-14-10-11-6-4-5-7-13(11)16-2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyKNGQMGXLWOJYGM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds7

About 1-[(2-methoxyphenyl)methylamino]pentan-3-ol

1-[(2-methoxyphenyl)methylamino]pentan-3-ol (PubChem CID 115703090) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methylamino]pentan-3-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methylamino]pentan-3-ol
PubChem CID115703090
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[(2-methoxyphenyl)methylamino]pentan-3-ol
SMILESCCC(O)CCNCc1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-3-12(15)8-9-14-10-11-6-4-5-7-13(11)16-2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyKNGQMGXLWOJYGM-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol
CID 114163606
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]butan-1-amine
CID 106242618
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol
CID 115703077
4-[(3-hydroxypentylamino)methyl]benzene-1,3-diol
CID 115703170
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methylamino]pentan-3-ol?
The IUPAC name of 1-[(2-methoxyphenyl)methylamino]pentan-3-ol (CID 115703090) is 1-[(2-methoxyphenyl)methylamino]pentan-3-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)methylamino]pentan-3-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)methylamino]pentan-3-ol is CCC(O)CCNCc1ccccc1OC.
What is the InChIKey of 1-[(2-methoxyphenyl)methylamino]pentan-3-ol?
The InChIKey is KNGQMGXLWOJYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-12(15)8-9-14-10-11-6-4-5-7-13(11)16-2/h4-7,12,14-15H,3,8-10H2,1-2H3.
What are the key properties of 1-[(2-methoxyphenyl)methylamino]pentan-3-ol?
1-[(2-methoxyphenyl)methylamino]pentan-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methylamino]pentan-3-ol is sourced from PubChem (CID 115703090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).