2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine

C12H20N2 — CID 20546137

IUPAC2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCc1cccc(C(CN)CNC)c1
InChIInChI=1S/C12H20N2/c1-3-10-5-4-6-11(7-10)12(8-13)9-14-2/h4-7,12,14H,3,8-9,13H2,1-2H3
InChIKeyKMOGDUWXKLJAOD-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.51
Rot. Bonds5

About 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine

2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 20546137) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID20546137
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCc1cccc(C(CN)CNC)c1
InChIInChI=1S/C12H20N2/c1-3-10-5-4-6-11(7-10)12(8-13)9-14-2/h4-7,12,14H,3,8-9,13H2,1-2H3
InChIKeyKMOGDUWXKLJAOD-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-(3-ethylphenyl)-4-methylpentan-1-amine
CID 166737218
2-(3-ethylphenyl)-N-methylpropan-1-amine
CID 105425624
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine
CID 20546440
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
N,2-dimethyl-3-(3-propylphenyl)butan-1-amine
CID 116546425
1-butan-2-yl-3-ethylbenzene
CID 528681

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine (CID 20546137) is 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine is CCc1cccc(C(CN)CNC)c1.
What is the InChIKey of 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is KMOGDUWXKLJAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10-5-4-6-11(7-10)12(8-13)9-14-2/h4-7,12,14H,3,8-9,13H2,1-2H3.
What are the key properties of 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine?
2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 20546137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).