N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine

C14H24N2 — CID 54805874

IUPACN-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine
SMILESCCCCNCCNc1ccc(C)cc1C
InChIInChI=1S/C14H24N2/c1-4-5-8-15-9-10-16-14-7-6-12(2)11-13(14)3/h6-7,11,15-16H,4-5,8-10H2,1-3H3
InChIKeyOKANKYRPROKPEX-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.11
Rot. Bonds7

About N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine

N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine (PubChem CID 54805874) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine
PubChem CID54805874
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine
SMILESCCCCNCCNc1ccc(C)cc1C
InChIInChI=1S/C14H24N2/c1-4-5-8-15-9-10-16-14-7-6-12(2)11-13(14)3/h6-7,11,15-16H,4-5,8-10H2,1-3H3
InChIKeyOKANKYRPROKPEX-UHFFFAOYSA-N
XLogP3.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54806040
2-(butylamino)-4-methylbenzaldehyde
CID 154316528
N-butyl-2-fluoro-5-methylaniline
CID 28877664
5-(2,4-dimethylanilino)pentanenitrile
CID 60679541
2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096306
N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54805959
2-(butylamino)-5-methylbenzoic acid
CID 18802498
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
2-chloro-N-decyl-4-methylaniline
CID 63489010
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine (CID 54805874) is N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine is CCCCNCCNc1ccc(C)cc1C.
What is the InChIKey of N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is OKANKYRPROKPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-5-8-15-9-10-16-14-7-6-12(2)11-13(14)3/h6-7,11,15-16H,4-5,8-10H2,1-3H3.
What are the key properties of N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine?
N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).