N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine

C18H24N2 — CID 115202433

IUPACN,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine
SMILESCC(CCN)CN(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-15(12-13-19)14-20(2)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14,19H2,1-2H3
InChIKeyZNPBEEBIBXVQFB-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.77
Rot. Bonds6

About N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine

N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine (PubChem CID 115202433) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine
PubChem CID115202433
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine
SMILESCC(CCN)CN(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-15(12-13-19)14-20(2)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14,19H2,1-2H3
InChIKeyZNPBEEBIBXVQFB-UHFFFAOYSA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 115202469
N-methyl-N,2-diphenylbutane-1,4-diamine
CID 112516401
N-(3-chloro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202409
N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202419
4-N-methyl-4-N-(2-methylpentyl)benzene-1,4-diamine
CID 62264507
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 115132029
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
2-(N-methyl-4-phenylanilino)ethanethiol
CID 115223791
3-amino-N,2-dimethyl-N-(4-phenylphenyl)propanamide
CID 115153554
(1R)-1-(4-phenylphenyl)propane-1,3-diamine
CID 171208417

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine?
The IUPAC name of N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine (CID 115202433) is N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine?
The canonical SMILES for N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine is CC(CCN)CN(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine?
The InChIKey is ZNPBEEBIBXVQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(12-13-19)14-20(2)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14,19H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine?
N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine is sourced from PubChem (CID 115202433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).