N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline

C14H19N3 — CID 115212835

IUPACN-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline
SMILESCNc1ccc(CNCCc2cc[nH]c2)cc1
InChIInChI=1S/C14H19N3/c1-15-14-4-2-12(3-5-14)10-16-8-6-13-7-9-17-11-13/h2-5,7,9,11,15-17H,6,8,10H2,1H3
InChIKeyUWYNSBMDIWSUAD-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.39
Rot. Bonds6

About N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline

N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline (PubChem CID 115212835) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline
PubChem CID115212835
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline
SMILESCNc1ccc(CNCCc2cc[nH]c2)cc1
InChIInChI=1S/C14H19N3/c1-15-14-4-2-12(3-5-14)10-16-8-6-13-7-9-17-11-13/h2-5,7,9,11,15-17H,6,8,10H2,1H3
InChIKeyUWYNSBMDIWSUAD-UHFFFAOYSA-N
XLogP2.39
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline?
The IUPAC name of N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline (CID 115212835) is N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline.
What is the SMILES notation for N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline?
The canonical SMILES for N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline is CNc1ccc(CNCCc2cc[nH]c2)cc1.
What is the InChIKey of N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline?
The InChIKey is UWYNSBMDIWSUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-15-14-4-2-12(3-5-14)10-16-8-6-13-7-9-17-11-13/h2-5,7,9,11,15-17H,6,8,10H2,1H3.
What are the key properties of N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline?
N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline is sourced from PubChem (CID 115212835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).