3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol

C14H23NO3 — CID 66091190

IUPAC3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(CC(C)(CN)CCO)cc1OC
InChIInChI=1S/C14H23NO3/c1-14(10-15,6-7-16)9-11-4-5-12(17-2)13(8-11)18-3/h4-5,8,16H,6-7,9-10,15H2,1-3H3
InChIKeyBANIGYPWCMEQEU-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.59
Rot. Bonds7

About 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol

3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol (PubChem CID 66091190) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
PubChem CID66091190
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(CC(C)(CN)CCO)cc1OC
InChIInChI=1S/C14H23NO3/c1-14(10-15,6-7-16)9-11-4-5-12(17-2)13(8-11)18-3/h4-5,8,16H,6-7,9-10,15H2,1-3H3
InChIKeyBANIGYPWCMEQEU-UHFFFAOYSA-N
XLogP1.59
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
4-amino-3-[(3,4-dimethoxyphenyl)methyl]-3-methylhexan-1-ol
CID 66089148
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
CID 143005011
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid;hydrochloride
CID 154832939
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111063
4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775
2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725314
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
(3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol
CID 16736187

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol (CID 66091190) is 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol is COc1ccc(CC(C)(CN)CCO)cc1OC.
What is the InChIKey of 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is BANIGYPWCMEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(10-15,6-7-16)9-11-4-5-12(17-2)13(8-11)18-3/h4-5,8,16H,6-7,9-10,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol?
3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 66091190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).