2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide

C14H22FN3O — CID 115366775

IUPAC2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(CN)c(F)c1
InChIInChI=1S/C14H22FN3O/c1-4-18(9-14(19)17-10(2)3)12-6-5-11(8-16)13(15)7-12/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyQRNSFVLCVWTCSR-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.64
Rot. Bonds6

About 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide

2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide (PubChem CID 115366775) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
PubChem CID115366775
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(CN)c(F)c1
InChIInChI=1S/C14H22FN3O/c1-4-18(9-14(19)17-10(2)3)12-6-5-11(8-16)13(15)7-12/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyQRNSFVLCVWTCSR-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 115367320
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
CID 115366683
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 64769835
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
CID 62136249
1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol
CID 113295462
2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide
CID 114064086
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54941727

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide (CID 115366775) is 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccc(CN)c(F)c1.
What is the InChIKey of 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide?
The InChIKey is QRNSFVLCVWTCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-18(9-14(19)17-10(2)3)12-6-5-11(8-16)13(15)7-12/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide?
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide has a molecular weight of 267.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 115366775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).