1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine

C14H24N2 — CID 43753439

IUPAC1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2/c1-5-16(6-2)14(10-15)13-8-7-11(3)12(4)9-13/h7-9,14H,5-6,10,15H2,1-4H3
InChIKeyBYVOKHPWVFBFJD-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.65
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine

1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine (PubChem CID 43753439) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
PubChem CID43753439
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2/c1-5-16(6-2)14(10-15)13-8-7-11(3)12(4)9-13/h7-9,14H,5-6,10,15H2,1-4H3
InChIKeyBYVOKHPWVFBFJD-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 63470604
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259
N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 62121838
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 63647577
1-(3-chloro-4-fluorophenyl)-N,N-diethylethane-1,2-diamine
CID 81145758
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
CID 43753483
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43753470
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 106817330
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine (CID 43753439) is 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine is CCN(CC)C(CN)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine?
The InChIKey is BYVOKHPWVFBFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-16(6-2)14(10-15)13-8-7-11(3)12(4)9-13/h7-9,14H,5-6,10,15H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 43753439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).