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

C17H22N2 — CID 112516401

IUPACN-methyl-N,2-diphenylbutane-1,4-diamine
SMILESCN(CC(CCN)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-19(17-10-6-3-7-11-17)14-16(12-13-18)15-8-4-2-5-9-15/h2-11,16H,12-14,18H2,1H3
InChIKeyCQRGCAWJOSTFHJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.26
Rot. Bonds6

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

N-methyl-N,2-diphenylbutane-1,4-diamine (PubChem CID 112516401) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-N,2-diphenylbutane-1,4-diamine.

Molecular Properties

Compound NameN-methyl-N,2-diphenylbutane-1,4-diamine
PubChem CID112516401
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-N,2-diphenylbutane-1,4-diamine
SMILESCN(CC(CCN)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-19(17-10-6-3-7-11-17)14-16(12-13-18)15-8-4-2-5-9-15/h2-11,16H,12-14,18H2,1H3
InChIKeyCQRGCAWJOSTFHJ-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylbutane-1,4-diamine
CID 16770348
N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine
CID 115202433
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
3-(N-methylanilino)-2-phenylpropanethioamide
CID 64538135
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 112516072
(2S)-1-N-methyl-4-methylsulfanyl-1-N-phenylbutane-1,2-diamine
CID 22689710
1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol
CID 62779714
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
2-(N-methylanilino)ethyl-triphenylphosphanium
CID 71322750
N-(3-bromo-2-phenylpropyl)-2-fluoro-N-methylaniline
CID 65015357

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,2-diphenylbutane-1,4-diamine?
The IUPAC name of N-methyl-N,2-diphenylbutane-1,4-diamine (CID 112516401) is N-methyl-N,2-diphenylbutane-1,4-diamine.
What is the SMILES notation for N-methyl-N,2-diphenylbutane-1,4-diamine?
The canonical SMILES for N-methyl-N,2-diphenylbutane-1,4-diamine is CN(CC(CCN)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N,2-diphenylbutane-1,4-diamine?
The InChIKey is CQRGCAWJOSTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-19(17-10-6-3-7-11-17)14-16(12-13-18)15-8-4-2-5-9-15/h2-11,16H,12-14,18H2,1H3.
What are the key properties of N-methyl-N,2-diphenylbutane-1,4-diamine?
N-methyl-N,2-diphenylbutane-1,4-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,2-diphenylbutane-1,4-diamine is sourced from PubChem (CID 112516401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).