2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol

C18H23NO — CID 3060406

IUPAC2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol
SMILESCC(C)C(CN)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)17(13-19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3
InChIKeyZBHMPKHHTBHQHM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.15
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol

2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol (PubChem CID 3060406) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol
PubChem CID3060406
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol
SMILESCC(C)C(CN)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)17(13-19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3
InChIKeyZBHMPKHHTBHQHM-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol
CID 22890028
(2R)-2-amino-1,1-diphenyl-3-(propan-2-ylamino)propan-1-ol
CID 134905502
4-amino-2,3-dimethyl-2-phenylbutanoic acid
CID 143150739
2-amino-1-(4-methylphenyl)-1-phenylpropan-1-ol
CID 19358994
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol
CID 101095551
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
1-phenyl-2-propan-2-yldecane-1,1-diol
CID 151363908
2-amino-1-(4-chlorophenyl)-1-phenylpropan-1-ol;hydrochloride
CID 24834780
(1S,2R)-3-methyl-1-(2-methylphenyl)-1-phenylbutane-1,2-diol
CID 131848491

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol (CID 3060406) is 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol is CC(C)C(CN)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol?
The InChIKey is ZBHMPKHHTBHQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)17(13-19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol?
2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 3060406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).