N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine

C19H26N2 — CID 63466547

IUPACN-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCCNC(CN(C)c1ccccc1)c1ccc(CC)cc1
InChIInChI=1S/C19H26N2/c1-4-16-11-13-17(14-12-16)19(20-5-2)15-21(3)18-9-7-6-8-10-18/h6-14,19-20H,4-5,15H2,1-3H3
InChIKeyNNARQCKOCXWOLY-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.04
Rot. Bonds7

About N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine

N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine (PubChem CID 63466547) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine
PubChem CID63466547
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCCNC(CN(C)c1ccccc1)c1ccc(CC)cc1
InChIInChI=1S/C19H26N2/c1-4-16-11-13-17(14-12-16)19(20-5-2)15-21(3)18-9-7-6-8-10-18/h6-14,19-20H,4-5,15H2,1-3H3
InChIKeyNNARQCKOCXWOLY-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-ethylphenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 63470331
N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63466730
N'-(cyclopropylmethyl)-N-ethyl-1-(4-ethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 63468895
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 63697022
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62619815
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901
1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine
CID 104744322

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine (CID 63466547) is N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine is CCNC(CN(C)c1ccccc1)c1ccc(CC)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine?
The InChIKey is NNARQCKOCXWOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-16-11-13-17(14-12-16)19(20-5-2)15-21(3)18-9-7-6-8-10-18/h6-14,19-20H,4-5,15H2,1-3H3.
What are the key properties of N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine?
N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 63466547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).