3-[(4-methoxyphenyl)methylamino]pentan-1-ol

C13H21NO2 — CID 111449217

IUPAC3-[(4-methoxyphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-12(8-9-15)14-10-11-4-6-13(16-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyOLAOTPHYWAWIJI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds7

About 3-[(4-methoxyphenyl)methylamino]pentan-1-ol

3-[(4-methoxyphenyl)methylamino]pentan-1-ol (PubChem CID 111449217) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]pentan-1-ol
PubChem CID111449217
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[(4-methoxyphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-12(8-9-15)14-10-11-4-6-13(16-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyOLAOTPHYWAWIJI-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

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Related Compounds

3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide
CID 115644676
3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449137
(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol
CID 28723100
3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 102876674
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenyl]acetic acid
CID 103267723
N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide
CID 111449202
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 115686305
(2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23844986
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]pentan-1-ol (CID 111449217) is 3-[(4-methoxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]pentan-1-ol is CCC(CCO)NCc1ccc(OC)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]pentan-1-ol?
The InChIKey is OLAOTPHYWAWIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-12(8-9-15)14-10-11-4-6-13(16-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methylamino]pentan-1-ol?
3-[(4-methoxyphenyl)methylamino]pentan-1-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 3-[(4-methoxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 111449217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).