3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol

C18H23NO2 — CID 66432579

IUPAC3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
SMILESCOc1cccc(CC(CN)(c2ccccc2)C(C)O)c1
InChIInChI=1S/C18H23NO2/c1-14(20)18(13-19,16-8-4-3-5-9-16)12-15-7-6-10-17(11-15)21-2/h3-11,14,20H,12-13,19H2,1-2H3
InChIKeyGIAGHROTLQHIPF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.52
Rot. Bonds6

About 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol

3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol (PubChem CID 66432579) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
PubChem CID66432579
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
SMILESCOc1cccc(CC(CN)(c2ccccc2)C(C)O)c1
InChIInChI=1S/C18H23NO2/c1-14(20)18(13-19,16-8-4-3-5-9-16)12-15-7-6-10-17(11-15)21-2/h3-11,14,20H,12-13,19H2,1-2H3
InChIKeyGIAGHROTLQHIPF-UHFFFAOYSA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-4-(4-bromophenyl)-3-phenylbutan-2-ol
CID 66431961
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
1-(3-methoxyphenyl)-2-propan-2-yloxypropan-2-ol
CID 91379820
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine
CID 163960110
4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol
CID 11565688
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090
2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 112566569
ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate
CID 124561920
(2S,4R)-4-(aminomethyl)-4-(3-methoxyphenyl)heptan-2-ol
CID 125468139
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol?
The IUPAC name of 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol (CID 66432579) is 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol?
The canonical SMILES for 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol is COc1cccc(CC(CN)(c2ccccc2)C(C)O)c1.
What is the InChIKey of 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol?
The InChIKey is GIAGHROTLQHIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(20)18(13-19,16-8-4-3-5-9-16)12-15-7-6-10-17(11-15)21-2/h3-11,14,20H,12-13,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol?
3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol is sourced from PubChem (CID 66432579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).