N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline

C17H21FN2 — CID 105347442

IUPACN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
SMILESCC(CN)c1ccc(CN(C)c2cccc(F)c2)cc1
InChIInChI=1S/C17H21FN2/c1-13(11-19)15-8-6-14(7-9-15)12-20(2)17-5-3-4-16(18)10-17/h3-10,13H,11-12,19H2,1-2H3
InChIKeyQLDRFTGJEGFOJF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.52
Rot. Bonds5

About N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline (PubChem CID 105347442) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
PubChem CID105347442
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
SMILESCC(CN)c1ccc(CN(C)c2cccc(F)c2)cc1
InChIInChI=1S/C17H21FN2/c1-13(11-19)15-8-6-14(7-9-15)12-20(2)17-5-3-4-16(18)10-17/h3-10,13H,11-12,19H2,1-2H3
InChIKeyQLDRFTGJEGFOJF-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline 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

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
CID 105347351
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
4-[(1S)-1-aminoethyl]-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28802643
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309
2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350731
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline
CID 105347405
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908
2-fluoro-5-[(3-fluoro-N-methylanilino)methyl]benzenecarbothioamide
CID 107879346
N-ethyl-5-[(3-fluoro-N-methylanilino)methyl]pyridin-2-amine
CID 62207366
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347050
N-benzyl-N-methyl-3-propan-2-ylaniline;1,4-di(propan-2-yl)benzene
CID 178169461
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline (CID 105347442) is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline is CC(CN)c1ccc(CN(C)c2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline?
The InChIKey is QLDRFTGJEGFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13(11-19)15-8-6-14(7-9-15)12-20(2)17-5-3-4-16(18)10-17/h3-10,13H,11-12,19H2,1-2H3.
What are the key properties of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline?
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 105347442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).