3-amino-1-(4-methoxyphenyl)butan-1-ol

C11H17NO2 — CID 81462602

IUPAC3-amino-1-(4-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(O)CC(C)N)cc1
InChIInChI=1S/C11H17NO2/c1-8(12)7-11(13)9-3-5-10(14-2)6-4-9/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyLQPLHGXBZMCKDA-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.47
Rot. Bonds4

About 3-amino-1-(4-methoxyphenyl)butan-1-ol

3-amino-1-(4-methoxyphenyl)butan-1-ol (PubChem CID 81462602) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-amino-1-(4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-methoxyphenyl)butan-1-ol
PubChem CID81462602
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-amino-1-(4-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(O)CC(C)N)cc1
InChIInChI=1S/C11H17NO2/c1-8(12)7-11(13)9-3-5-10(14-2)6-4-9/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyLQPLHGXBZMCKDA-UHFFFAOYSA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
(1S,3R)-3-amino-1-(4-methoxyphenyl)butane-1,4-diol
CID 121237727
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400
1-(4-methoxyphenyl)-3,5-dimethylhexan-1-ol
CID 114200447
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
(1R,3S)-3-amino-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-ol
CID 171236930
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832253
3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
CID 82920608
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxyphenyl)butan-1-ol?
The IUPAC name of 3-amino-1-(4-methoxyphenyl)butan-1-ol (CID 81462602) is 3-amino-1-(4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 3-amino-1-(4-methoxyphenyl)butan-1-ol?
The canonical SMILES for 3-amino-1-(4-methoxyphenyl)butan-1-ol is COc1ccc(C(O)CC(C)N)cc1.
What is the InChIKey of 3-amino-1-(4-methoxyphenyl)butan-1-ol?
The InChIKey is LQPLHGXBZMCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(12)7-11(13)9-3-5-10(14-2)6-4-9/h3-6,8,11,13H,7,12H2,1-2H3.
What are the key properties of 3-amino-1-(4-methoxyphenyl)butan-1-ol?
3-amino-1-(4-methoxyphenyl)butan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 81462602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).