1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine

C14H24N2 — CID 115346411

IUPAC1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCCc1cccc(C(CCN(C)C)NC)c1
InChIInChI=1S/C14H24N2/c1-5-12-7-6-8-13(11-12)14(15-2)9-10-16(3)4/h6-8,11,14-15H,5,9-10H2,1-4H3
InChIKeyZUJHJAXSMZCRSL-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.46
Rot. Bonds6

About 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine

1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 115346411) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID115346411
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCCc1cccc(C(CCN(C)C)NC)c1
InChIInChI=1S/C14H24N2/c1-5-12-7-6-8-13(11-12)14(15-2)9-10-16(3)4/h6-8,11,14-15H,5,9-10H2,1-4H3
InChIKeyZUJHJAXSMZCRSL-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol
CID 115346033
N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
CID 116544972
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346441
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
2-cycloheptyl-1-(3-ethylphenyl)-N-methylethanamine
CID 105018546
1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine
CID 105018498
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine (CID 115346411) is 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine is CCc1cccc(C(CCN(C)C)NC)c1.
What is the InChIKey of 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is ZUJHJAXSMZCRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12-7-6-8-13(11-12)14(15-2)9-10-16(3)4/h6-8,11,14-15H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115346411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).