1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C15H26N2 — CID 116945849

IUPAC1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCc1ccc(C(N)C(CNC)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-12-6-8-13(9-7-12)15(16)14(10-17-4)11(2)3/h6-9,11,14-15,17H,5,10,16H2,1-4H3
InChIKeyDREZXMTWTGETFT-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.74
Rot. Bonds6

About 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945849) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945849
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCc1ccc(C(N)C(CNC)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-12-6-8-13(9-7-12)15(16)14(10-17-4)11(2)3/h6-9,11,14-15,17H,5,10,16H2,1-4H3
InChIKeyDREZXMTWTGETFT-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 116945869
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
1-(1,3-benzodioxol-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945872
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945914
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276085
3-amino-3-(4-ethylphenyl)-2-(methylamino)propanoic acid
CID 116946846

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 116945849) is 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CCc1ccc(C(N)C(CNC)C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is DREZXMTWTGETFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-12-6-8-13(9-7-12)15(16)14(10-17-4)11(2)3/h6-9,11,14-15,17H,5,10,16H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).