3-methyl-1,4-diphenylbutane-2,2-diamine

C17H22N2 — CID 22904156

IUPAC3-methyl-1,4-diphenylbutane-2,2-diamine
SMILESCC(Cc1ccccc1)C(N)(N)Cc1ccccc1
InChIInChI=1S/C17H22N2/c1-14(12-15-8-4-2-5-9-15)17(18,19)13-16-10-6-3-7-11-16/h2-11,14H,12-13,18-19H2,1H3
InChIKeyKMPLFBZLAHEZQU-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.72
Rot. Bonds5

About 3-methyl-1,4-diphenylbutane-2,2-diamine

3-methyl-1,4-diphenylbutane-2,2-diamine (PubChem CID 22904156) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-methyl-1,4-diphenylbutane-2,2-diamine.

Molecular Properties

Compound Name3-methyl-1,4-diphenylbutane-2,2-diamine
PubChem CID22904156
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-methyl-1,4-diphenylbutane-2,2-diamine
SMILESCC(Cc1ccccc1)C(N)(N)Cc1ccccc1
InChIInChI=1S/C17H22N2/c1-14(12-15-8-4-2-5-9-15)17(18,19)13-16-10-6-3-7-11-16/h2-11,14H,12-13,18-19H2,1H3
InChIKeyKMPLFBZLAHEZQU-UHFFFAOYSA-N
XLogP2.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
CID 173157536
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
2-methyl-3-phenylpropan-1-amine
CID 12672558
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
(2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol
CID 67674348
2-amino-1-phenylbutane-2,3-diol
CID 175388454
azane;1-phenylpropan-2-amine
CID 67350534
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842
2-benzyl-3-methylbutan-1-amine
CID 59900587
2-benzyl-3,3-difluoro-2-methylpropan-1-amine
CID 84721110
ethane;2-methylpropylbenzene
CID 162200929

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-diphenylbutane-2,2-diamine?
The IUPAC name of 3-methyl-1,4-diphenylbutane-2,2-diamine (CID 22904156) is 3-methyl-1,4-diphenylbutane-2,2-diamine.
What is the SMILES notation for 3-methyl-1,4-diphenylbutane-2,2-diamine?
The canonical SMILES for 3-methyl-1,4-diphenylbutane-2,2-diamine is CC(Cc1ccccc1)C(N)(N)Cc1ccccc1.
What is the InChIKey of 3-methyl-1,4-diphenylbutane-2,2-diamine?
The InChIKey is KMPLFBZLAHEZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14(12-15-8-4-2-5-9-15)17(18,19)13-16-10-6-3-7-11-16/h2-11,14H,12-13,18-19H2,1H3.
What are the key properties of 3-methyl-1,4-diphenylbutane-2,2-diamine?
3-methyl-1,4-diphenylbutane-2,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-diphenylbutane-2,2-diamine is sourced from PubChem (CID 22904156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).