N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine

C15H21N3 — CID 115213082

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
SMILESCN(CCc1cc[nH]c1)Cc1cccc(CN)c1
InChIInChI=1S/C15H21N3/c1-18(8-6-13-5-7-17-11-13)12-15-4-2-3-14(9-15)10-16/h2-5,7,9,11,17H,6,8,10,12,16H2,1H3
InChIKeyYVIMKZBVWNIPFO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.15
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine

N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 115213082) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID115213082
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
SMILESCN(CCc1cc[nH]c1)Cc1cccc(CN)c1
InChIInChI=1S/C15H21N3/c1-18(8-6-13-5-7-17-11-13)12-15-4-2-3-14(9-15)10-16/h2-5,7,9,11,17H,6,8,10,12,16H2,1H3
InChIKeyYVIMKZBVWNIPFO-UHFFFAOYSA-N
XLogP2.15
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
N-(2-chloroethyl)-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115215195
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
CID 106450820
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 115161194
4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
CID 117039305
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213525
ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
CID 63380673
2-N,3-dimethyl-2-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115126153
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine (CID 115213082) is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine is CN(CCc1cc[nH]c1)Cc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is YVIMKZBVWNIPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18(8-6-13-5-7-17-11-13)12-15-4-2-3-14(9-15)10-16/h2-5,7,9,11,17H,6,8,10,12,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine?
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 115213082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).