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

C15H26N2 — CID 107442907

IUPACN'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCCc1ccc(CNCC(CN)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-4-13-5-7-14(8-6-13)10-17-11-15(9-16)12(2)3/h5-8,12,15,17H,4,9-11,16H2,1-3H3
InChIKeyAPOAPMYRSFOLGW-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.57
Rot. Bonds7

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

N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442907) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442907
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCCc1ccc(CNCC(CN)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-4-13-5-7-14(8-6-13)10-17-11-15(9-16)12(2)3/h5-8,12,15,17H,4,9-11,16H2,1-3H3
InChIKeyAPOAPMYRSFOLGW-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441233
N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441147
N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441139
N'-[(4-ethylsulfanylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198540
N'-[(3-nitrophenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442158
2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252075
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801
N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441196
3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine
CID 115119666
1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine
CID 115203780
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine (CID 107442907) is N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine is CCc1ccc(CNCC(CN)C(C)C)cc1.
What is the InChIKey of N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is APOAPMYRSFOLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-13-5-7-14(8-6-13)10-17-11-15(9-16)12(2)3/h5-8,12,15,17H,4,9-11,16H2,1-3H3.
What are the key properties of N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).