N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine

C18H24N2 — CID 61076579

IUPACN-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CN)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-4-20(16-10-7-8-14(2)12-16)18(13-19)17-11-6-5-9-15(17)3/h5-12,18H,4,13,19H2,1-3H3
InChIKeyZAMCTUFSQYDNMQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.83
Rot. Bonds5

About N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine

N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 61076579) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID61076579
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CN)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-4-20(16-10-7-8-14(2)12-16)18(13-19)17-11-6-5-9-15(17)3/h5-12,18H,4,13,19H2,1-3H3
InChIKeyZAMCTUFSQYDNMQ-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 61076742
N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62347355
(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 93489617
N-(3,5-dimethylphenyl)-N-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62004079
2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
N-ethyl-3-methyl-N-[1-(2-methylphenoxy)ethyl]aniline
CID 70633322
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43180434
1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63668426
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine (CID 61076579) is N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine is CCN(c1cccc(C)c1)C(CN)c1ccccc1C.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is ZAMCTUFSQYDNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-20(16-10-7-8-14(2)12-16)18(13-19)17-11-6-5-9-15(17)3/h5-12,18H,4,13,19H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61076579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).