N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine

C12H15N3 — CID 117041527

IUPACN-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
SMILESCN(c1cc[nH]c1)c1cccc(CN)c1
InChIInChI=1S/C12H15N3/c1-15(12-5-6-14-9-12)11-4-2-3-10(7-11)8-13/h2-7,9,14H,8,13H2,1H3
InChIKeyNHWOOSCGTUGOIP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.24
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine

N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine (PubChem CID 117041527) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
PubChem CID117041527
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
SMILESCN(c1cc[nH]c1)c1cccc(CN)c1
InChIInChI=1S/C12H15N3/c1-15(12-5-6-14-9-12)11-4-2-3-10(7-11)8-13/h2-7,9,14H,8,13H2,1H3
InChIKeyNHWOOSCGTUGOIP-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041628
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
3-[methyl(1H-pyrrol-3-yl)amino]benzoic acid
CID 117043065
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504
4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
3-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62972038
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115213082
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
CID 117041520
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine (CID 117041527) is N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine is CN(c1cc[nH]c1)c1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine?
The InChIKey is NHWOOSCGTUGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-15(12-5-6-14-9-12)11-4-2-3-10(7-11)8-13/h2-7,9,14H,8,13H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine?
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine has a molecular weight of 201.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine is sourced from PubChem (CID 117041527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).