2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline

C15H25FN2 — CID 43313953

IUPAC2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(F)cc1CNCC)C(C)C
InChIInChI=1S/C15H25FN2/c1-5-9-18(12(3)4)15-8-7-14(16)10-13(15)11-17-6-2/h7-8,10,12,17H,5-6,9,11H2,1-4H3
InChIKeyRRMVSJJRSJNSCW-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.56
Rot. Bonds7

About 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline

2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline (PubChem CID 43313953) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
PubChem CID43313953
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(F)cc1CNCC)C(C)C
InChIInChI=1S/C15H25FN2/c1-5-9-18(12(3)4)15-8-7-14(16)10-13(15)11-17-6-2/h7-8,10,12,17H,5-6,9,11H2,1-4H3
InChIKeyRRMVSJJRSJNSCW-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline 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-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63551569
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
2-[N-butyl-2-(ethylaminomethyl)-4-fluoroanilino]ethanol
CID 61447090
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
CID 107201266
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide
CID 63071874

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline?
The IUPAC name of 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline (CID 43313953) is 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline.
What is the SMILES notation for 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline?
The canonical SMILES for 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline is CCCN(c1ccc(F)cc1CNCC)C(C)C.
What is the InChIKey of 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline?
The InChIKey is RRMVSJJRSJNSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-9-18(12(3)4)15-8-7-14(16)10-13(15)11-17-6-2/h7-8,10,12,17H,5-6,9,11H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline?
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline has a molecular weight of 252.38 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline is sourced from PubChem (CID 43313953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).