2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline

C17H21FN2 — CID 63817744

IUPAC2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C17H21FN2/c1-12-6-4-5-7-16(12)20(3)17-9-8-15(18)11-14(17)10-13(2)19/h4-9,11,13H,10,19H2,1-3H3
InChIKeyGPQKXYSNXALDTC-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline

2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline (PubChem CID 63817744) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
PubChem CID63817744
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C17H21FN2/c1-12-6-4-5-7-16(12)20(3)17-9-8-15(18)11-14(17)10-13(2)19/h4-9,11,13H,10,19H2,1-3H3
InChIKeyGPQKXYSNXALDTC-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-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
CID 63816194
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
CID 63816863
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 63795748
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793781
4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569
5-(2-aminopropyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80634444
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline (CID 63817744) is 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline is Cc1ccccc1N(C)c1ccc(F)cc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline?
The InChIKey is GPQKXYSNXALDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-6-4-5-7-16(12)20(3)17-9-8-15(18)11-14(17)10-13(2)19/h4-9,11,13H,10,19H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline?
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)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-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 63817744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).