2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline

C17H21FN2 — CID 43105495

IUPAC2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CN(C)c2cccc(F)c2C(C)N)cc1
InChIInChI=1S/C17H21FN2/c1-12-7-9-14(10-8-12)11-20(3)16-6-4-5-15(18)17(16)13(2)19/h4-10,13H,11,19H2,1-3H3
InChIKeyMNBBLFAUFWGEPB-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.79
Rot. Bonds4

About 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline

2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 43105495) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID43105495
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CN(C)c2cccc(F)c2C(C)N)cc1
InChIInChI=1S/C17H21FN2/c1-12-7-9-14(10-8-12)11-20(3)16-6-4-5-15(18)17(16)13(2)19/h4-10,13H,11,19H2,1-3H3
InChIKeyMNBBLFAUFWGEPB-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238
2-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylaniline
CID 78934812
2-(1-aminoethyl)-3-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 61417784
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 61395066
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036392
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036390
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
CID 63369402
2-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylaniline
CID 105415231
2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 103958489
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline (CID 43105495) is 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline is Cc1ccc(CN(C)c2cccc(F)c2C(C)N)cc1.
What is the InChIKey of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is MNBBLFAUFWGEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-7-9-14(10-8-12)11-20(3)16-6-4-5-15(18)17(16)13(2)19/h4-10,13H,11,19H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline?
2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 272.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 43105495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).