1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol

C12H19NO2 — CID 70266735

IUPAC1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol
SMILESCCC(Cc1ccc(OC)cc1)C(N)O
InChIInChI=1S/C12H19NO2/c1-3-10(12(13)14)8-9-4-6-11(15-2)7-5-9/h4-7,10,12,14H,3,8,13H2,1-2H3
InChIKeyPFGMJGIPSJQWBN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.54
Rot. Bonds5

About 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol

1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol (PubChem CID 70266735) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol
PubChem CID70266735
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol
SMILESCCC(Cc1ccc(OC)cc1)C(N)O
InChIInChI=1S/C12H19NO2/c1-3-10(12(13)14)8-9-4-6-11(15-2)7-5-9/h4-7,10,12,14H,3,8,13H2,1-2H3
InChIKeyPFGMJGIPSJQWBN-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
1-(4-methoxyphenyl)-3-propylhexan-2-amine
CID 82987770
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
[(1R)-1-amino-2-(4-methoxyphenyl)ethyl]boronic acid
CID 129319392
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine
CID 84723743

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol?
The IUPAC name of 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol (CID 70266735) is 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol.
What is the SMILES notation for 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol?
The canonical SMILES for 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol is CCC(Cc1ccc(OC)cc1)C(N)O.
What is the InChIKey of 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol?
The InChIKey is PFGMJGIPSJQWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-10(12(13)14)8-9-4-6-11(15-2)7-5-9/h4-7,10,12,14H,3,8,13H2,1-2H3.
What are the key properties of 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol?
1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol is sourced from PubChem (CID 70266735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).