2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline

C14H20N4 — CID 54961833

IUPAC2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline
SMILESCCN(CCn1cccn1)Cc1ccccc1N
InChIInChI=1S/C14H20N4/c1-2-17(10-11-18-9-5-8-16-18)12-13-6-3-4-7-14(13)15/h3-9H,2,10-12,15H2,1H3
InChIKeyLEGNBJZNYKKXJG-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.99
Rot. Bonds6

About 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline

2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline (PubChem CID 54961833) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline
PubChem CID54961833
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline
SMILESCCN(CCn1cccn1)Cc1ccccc1N
InChIInChI=1S/C14H20N4/c1-2-17(10-11-18-9-5-8-16-18)12-13-6-3-4-7-14(13)15/h3-9H,2,10-12,15H2,1H3
InChIKeyLEGNBJZNYKKXJG-UHFFFAOYSA-N
XLogP1.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-pyrazol-1-ylethanamine
CID 50970555
2-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 62125850
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
CID 42289115
6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione
CID 134704975
2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
CID 61490610
N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 61492014
3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
6-[(2-aminophenyl)methyl-ethylamino]-2,2-dimethylhexanenitrile
CID 106712874

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline?
The IUPAC name of 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline (CID 54961833) is 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline is CCN(CCn1cccn1)Cc1ccccc1N.
What is the InChIKey of 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline?
The InChIKey is LEGNBJZNYKKXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-17(10-11-18-9-5-8-16-18)12-13-6-3-4-7-14(13)15/h3-9H,2,10-12,15H2,1H3.
What are the key properties of 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline?
2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline is sourced from PubChem (CID 54961833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).