2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

C15H26N2 — CID 55072177

IUPAC2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCc1ccc(N(C)C(C)CNC(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-14-7-9-15(10-8-14)17(5)13(4)11-16-12(2)3/h7-10,12-13,16H,6,11H2,1-5H3
InChIKeyFHWMMGPYENZNNL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.07
Rot. Bonds6

About 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 55072177) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID55072177
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCc1ccc(N(C)C(C)CNC(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-14-7-9-15(10-8-14)17(5)13(4)11-16-12(2)3/h7-10,12-13,16H,6,11H2,1-5H3
InChIKeyFHWMMGPYENZNNL-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-N-methylanilino)propanenitrile
CID 115129945
2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55072258
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62435825
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
N,N-dimethyl-4-[2-(propan-2-ylamino)ethyl]aniline
CID 64866407
1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43111554
4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline
CID 43572395
4-ethyl-N-methyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]aniline
CID 62434937
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol
CID 78940853

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (CID 55072177) is 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is CCc1ccc(N(C)C(C)CNC(C)C)cc1.
What is the InChIKey of 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is FHWMMGPYENZNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-14-7-9-15(10-8-14)17(5)13(4)11-16-12(2)3/h7-10,12-13,16H,6,11H2,1-5H3.
What are the key properties of 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55072177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).