3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine

C18H24N2 — CID 43829549

IUPAC3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
SMILESCC(N(C)C)C(N)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(20(2)3)18(19,17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,15H,14,19H2,1-3H3
InChIKeyWYIJEISAAMAPSI-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.03
Rot. Bonds5

About 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine

3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine (PubChem CID 43829549) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
PubChem CID43829549
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
SMILESCC(N(C)C)C(N)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(20(2)3)18(19,17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,15H,14,19H2,1-3H3
InChIKeyWYIJEISAAMAPSI-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine
CID 43829541
2-amino-1-phenylbutane-2,3-diol
CID 175388454
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
CID 173157536
3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine
CID 43830303
2-amino-3-methyl-2-phenylbutan-1-ol
CID 61056437
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine
CID 135203392
3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156
2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol
CID 140503956
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
CID 116542994

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine (CID 43829549) is 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine is CC(N(C)C)C(N)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine?
The InChIKey is WYIJEISAAMAPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(20(2)3)18(19,17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,15H,14,19H2,1-3H3.
What are the key properties of 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine?
3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine is sourced from PubChem (CID 43829549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).