4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline

C17H20F2N2 — CID 63815627

IUPAC4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2c(F)cc(CC(C)N)cc2F)c1
InChIInChI=1S/C17H20F2N2/c1-11-5-4-6-14(7-11)21(3)17-15(18)9-13(8-12(2)20)10-16(17)19/h4-7,9-10,12H,8,20H2,1-3H3
InChIKeyIJCIEHNTHJTXIE-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.93
Rot. Bonds4

About 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline

4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline (PubChem CID 63815627) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
PubChem CID63815627
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2c(F)cc(CC(C)N)cc2F)c1
InChIInChI=1S/C17H20F2N2/c1-11-5-4-6-14(7-11)21(3)17-15(18)9-13(8-12(2)20)10-16(17)19/h4-7,9-10,12H,8,20H2,1-3H3
InChIKeyIJCIEHNTHJTXIE-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline 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-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 107082587
N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
CID 103552989
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63785833
4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 63786304
1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817006
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline
CID 163852785
4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
CID 63075774

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline (CID 63815627) is 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline is Cc1cccc(N(C)c2c(F)cc(CC(C)N)cc2F)c1.
What is the InChIKey of 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline?
The InChIKey is IJCIEHNTHJTXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-11-5-4-6-14(7-11)21(3)17-15(18)9-13(8-12(2)20)10-16(17)19/h4-7,9-10,12H,8,20H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline?
4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline has a molecular weight of 290.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 63815627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).