3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline

C18H23FN2 — CID 106532630

IUPAC3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)cc(N(C)c2ccccc2C)c1
InChIInChI=1S/C18H23FN2/c1-4-9-20-13-15-10-16(19)12-17(11-15)21(3)18-8-6-5-7-14(18)2/h5-8,10-12,20H,4,9,13H2,1-3H3
InChIKeyNWBZTQGHTCLVHE-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.40
Rot. Bonds6

About 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline

3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline (PubChem CID 106532630) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline
PubChem CID106532630
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)cc(N(C)c2ccccc2C)c1
InChIInChI=1S/C18H23FN2/c1-4-9-20-13-15-10-16(19)12-17(11-15)21(3)18-8-6-5-7-14(18)2/h5-8,10-12,20H,4,9,13H2,1-3H3
InChIKeyNWBZTQGHTCLVHE-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-5-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 106530412
3-fluoro-N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)aniline
CID 106532265
N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293758
2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63551967
N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 63551774
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline
CID 107402459
4-chloro-N-(3-fluorophenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114850532
N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
CID 63552706

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline?
The IUPAC name of 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline (CID 106532630) is 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline.
What is the SMILES notation for 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline?
The canonical SMILES for 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline is CCCNCc1cc(F)cc(N(C)c2ccccc2C)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline?
The InChIKey is NWBZTQGHTCLVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-9-20-13-15-10-16(19)12-17(11-15)21(3)18-8-6-5-7-14(18)2/h5-8,10-12,20H,4,9,13H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline?
3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline has a molecular weight of 286.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline is sourced from PubChem (CID 106532630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).