N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C19H26N2 — CID 63466730

IUPACN,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCNC(CN(C)c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H26N2/c1-15(2)16-10-12-17(13-11-16)19(20-3)14-21(4)18-8-6-5-7-9-18/h5-13,15,19-20H,14H2,1-4H3
InChIKeyKZJPRBQNVRBBAJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.21
Rot. Bonds6

About N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 63466730) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID63466730
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCNC(CN(C)c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H26N2/c1-15(2)16-10-12-17(13-11-16)19(20-3)14-21(4)18-8-6-5-7-9-18/h5-13,15,19-20H,14H2,1-4H3
InChIKeyKZJPRBQNVRBBAJ-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63693086
N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 63466547
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 14545863
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63469119
N-benzyl-N-methyl-3-propan-2-ylaniline;1,4-di(propan-2-yl)benzene
CID 178169461
(2S)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253745
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253746

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 63466730) is N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CNC(CN(C)c1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is KZJPRBQNVRBBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(2)16-10-12-17(13-11-16)19(20-3)14-21(4)18-8-6-5-7-9-18/h5-13,15,19-20H,14H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63466730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).