3-methyl-2,2-diphenylbutane-1,3-diamine

C17H22N2 — CID 67265829

IUPAC3-methyl-2,2-diphenylbutane-1,3-diamine
SMILESCC(C)(N)C(CN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-16(2,19)17(13-18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13,18-19H2,1-2H3
InChIKeySFBXZZHWKPCMLV-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.67
Rot. Bonds4

About 3-methyl-2,2-diphenylbutane-1,3-diamine

3-methyl-2,2-diphenylbutane-1,3-diamine (PubChem CID 67265829) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-methyl-2,2-diphenylbutane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-2,2-diphenylbutane-1,3-diamine
PubChem CID67265829
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-methyl-2,2-diphenylbutane-1,3-diamine
SMILESCC(C)(N)C(CN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-16(2,19)17(13-18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13,18-19H2,1-2H3
InChIKeySFBXZZHWKPCMLV-UHFFFAOYSA-N
XLogP2.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
1,1-diphenylethane-1,2-diamine;hydrochloride
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1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
1,1-diphenylethanamine
CID 12761172
2,2-diphenylpropane-1,3-diamine
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(1R)-1-iodo-1-phenylethanamine
CID 68727841
phenylmethanamine;2-phenylpropan-2-amine;hydrochloride
CID 174901598
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
CID 115918107
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,2-diphenylbutane-1,3-diamine?
The IUPAC name of 3-methyl-2,2-diphenylbutane-1,3-diamine (CID 67265829) is 3-methyl-2,2-diphenylbutane-1,3-diamine.
What is the SMILES notation for 3-methyl-2,2-diphenylbutane-1,3-diamine?
The canonical SMILES for 3-methyl-2,2-diphenylbutane-1,3-diamine is CC(C)(N)C(CN)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-2,2-diphenylbutane-1,3-diamine?
The InChIKey is SFBXZZHWKPCMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-16(2,19)17(13-18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13,18-19H2,1-2H3.
What are the key properties of 3-methyl-2,2-diphenylbutane-1,3-diamine?
3-methyl-2,2-diphenylbutane-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,2-diphenylbutane-1,3-diamine is sourced from PubChem (CID 67265829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).