3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline

C14H19N3 — CID 62329226

IUPAC3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCN(C)Cc1cccc(NCc2ccc[nH]2)c1
InChIInChI=1S/C14H19N3/c1-17(2)11-12-5-3-6-13(9-12)16-10-14-7-4-8-15-14/h3-9,15-16H,10-11H2,1-2H3
InChIKeyTTXQSFQPGHZOGT-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.69
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline

3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62329226) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62329226
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCN(C)Cc1cccc(NCc2ccc[nH]2)c1
InChIInChI=1S/C14H19N3/c1-17(2)11-12-5-3-6-13(9-12)16-10-14-7-4-8-15-14/h3-9,15-16H,10-11H2,1-2H3
InChIKeyTTXQSFQPGHZOGT-UHFFFAOYSA-N
XLogP2.69
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328403
3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328048
N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 83962509
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558
3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 43435749
2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine
CID 66385340
N-[(6-bromo-2-pyridinyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 112581995
N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 106816343
3-[(dimethylamino)methyl]-N-pentylaniline
CID 43688686
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
N-[(2-bromo-5-methoxyphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 103827945
N-[(4-bromo-3-fluorophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 81437225

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62329226) is 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline is CN(C)Cc1cccc(NCc2ccc[nH]2)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is TTXQSFQPGHZOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17(2)11-12-5-3-6-13(9-12)16-10-14-7-4-8-15-14/h3-9,15-16H,10-11H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline?
3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 229.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62329226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).