4-[3-(dimethylamino)propyl]aniline;ethane

C13H24N2 — CID 144651557

IUPAC4-[3-(dimethylamino)propyl]aniline;ethane
SMILESCC.CN(C)CCCc1ccc(N)cc1
InChIInChI=1S/C11H18N2.C2H6/c1-13(2)9-3-4-10-5-7-11(12)8-6-10;1-2/h5-8H,3-4,9,12H2,1-2H3;1-2H3
InChIKeyGPEBGAJGBZHMGB-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.79
Rot. Bonds4

About 4-[3-(dimethylamino)propyl]aniline;ethane

4-[3-(dimethylamino)propyl]aniline;ethane (PubChem CID 144651557) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]aniline;ethane.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]aniline;ethane
PubChem CID144651557
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-[3-(dimethylamino)propyl]aniline;ethane
SMILESCC.CN(C)CCCc1ccc(N)cc1
InChIInChI=1S/C11H18N2.C2H6/c1-13(2)9-3-4-10-5-7-11(12)8-6-10;1-2/h5-8H,3-4,9,12H2,1-2H3;1-2H3
InChIKeyGPEBGAJGBZHMGB-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(4-aminophenyl)propyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115341967
4-[3-(diethylamino)propyl]aniline
CID 10608385
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
CID 115341869
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
N-[(4-aminophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 82672398
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine
CID 170865966
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
CID 117314930

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]aniline;ethane?
The IUPAC name of 4-[3-(dimethylamino)propyl]aniline;ethane (CID 144651557) is 4-[3-(dimethylamino)propyl]aniline;ethane.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]aniline;ethane?
The canonical SMILES for 4-[3-(dimethylamino)propyl]aniline;ethane is CC.CN(C)CCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-(dimethylamino)propyl]aniline;ethane?
The InChIKey is GPEBGAJGBZHMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-13(2)9-3-4-10-5-7-11(12)8-6-10;1-2/h5-8H,3-4,9,12H2,1-2H3;1-2H3.
What are the key properties of 4-[3-(dimethylamino)propyl]aniline;ethane?
4-[3-(dimethylamino)propyl]aniline;ethane has a molecular weight of 208.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]aniline;ethane is sourced from PubChem (CID 144651557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).