3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine

C13H22N2 — CID 155740431

IUPAC3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCc1ccc(CN)cc1
InChIInChI=1S/C13H22N2/c1-3-15(2)10-4-5-12-6-8-13(11-14)9-7-12/h6-9H,3-5,10-11,14H2,1-2H3
InChIKeyDQJBBSGZNPIQIS-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.03
Rot. Bonds6

About 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine

3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine (PubChem CID 155740431) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine
PubChem CID155740431
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCc1ccc(CN)cc1
InChIInChI=1S/C13H22N2/c1-3-15(2)10-4-5-12-6-8-13(11-14)9-7-12/h6-9H,3-5,10-11,14H2,1-2H3
InChIKeyDQJBBSGZNPIQIS-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane
CID 155739258
2-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-N,N-dimethylethanamine
CID 156861080
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine
CID 170568640
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 58662120
N-[[4-[3-[ethyl(methyl)amino]propyl]phenyl]methyl]butan-2-amine;molecular hydrogen;propane
CID 166461654
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
3-[4-(aminomethyl)phenyl]sulfonyl-N-[3-[4-(aminomethyl)phenyl]sulfonylpropyl]-N-methylpropan-1-amine
CID 70313018
4-[3-(diethylamino)propyl]aniline
CID 10608385
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine (CID 155740431) is 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine is CCN(C)CCCc1ccc(CN)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine?
The InChIKey is DQJBBSGZNPIQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-15(2)10-4-5-12-6-8-13(11-14)9-7-12/h6-9H,3-5,10-11,14H2,1-2H3.
What are the key properties of 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine?
3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine is sourced from PubChem (CID 155740431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).