N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine

C12H15N3 — CID 117041628

IUPACN-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
SMILESCN(c1ccc(CN)cc1)c1cc[nH]c1
InChIInChI=1S/C12H15N3/c1-15(12-6-7-14-9-12)11-4-2-10(8-13)3-5-11/h2-7,9,14H,8,13H2,1H3
InChIKeyVCOHAXOOUHSZNY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.24
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine

N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine (PubChem CID 117041628) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
PubChem CID117041628
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
SMILESCN(c1ccc(CN)cc1)c1cc[nH]c1
InChIInChI=1S/C12H15N3/c1-15(12-6-7-14-9-12)11-4-2-10(8-13)3-5-11/h2-7,9,14H,8,13H2,1H3
InChIKeyVCOHAXOOUHSZNY-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-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62971157
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115125688
N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine
CID 63152218
N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
CID 117041608
N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine
CID 55161656
N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
CID 117041651
3-[methyl(1H-pyrrol-3-yl)amino]benzoic acid
CID 117043065
N-[4-(aminomethyl)phenyl]-N,1-dimethylindol-3-amine
CID 117041625

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine (CID 117041628) is N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine is CN(c1ccc(CN)cc1)c1cc[nH]c1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine?
The InChIKey is VCOHAXOOUHSZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-15(12-6-7-14-9-12)11-4-2-10(8-13)3-5-11/h2-7,9,14H,8,13H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine?
N-[4-(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-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine is sourced from PubChem (CID 117041628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).