2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine

C19H26N2 — CID 60709793

IUPAC2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)CCc1ccccc1
InChIInChI=1S/C19H26N2/c1-3-21(19-12-8-7-9-16(19)2)18(15-20)14-13-17-10-5-4-6-11-17/h4-12,18H,3,13-15,20H2,1-2H3
InChIKeyDCFOOBGTJQTCQW-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.78
Rot. Bonds7

About 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine

2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine (PubChem CID 60709793) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
PubChem CID60709793
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)CCc1ccccc1
InChIInChI=1S/C19H26N2/c1-3-21(19-12-8-7-9-16(19)2)18(15-20)14-13-17-10-5-4-6-11-17/h4-12,18H,3,13-15,20H2,1-2H3
InChIKeyDCFOOBGTJQTCQW-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 103188024
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 107397853
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 55129264
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43822938
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 79578411
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
CID 62881786
[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine
CID 114030517
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262
1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43104509

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine (CID 60709793) is 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine is CCN(c1ccccc1C)C(CN)CCc1ccccc1.
What is the InChIKey of 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine?
The InChIKey is DCFOOBGTJQTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-21(19-12-8-7-9-16(19)2)18(15-20)14-13-17-10-5-4-6-11-17/h4-12,18H,3,13-15,20H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine?
2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 60709793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).