1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine

C14H22FN3 — CID 103590608

IUPAC1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1cc(N2CC(C)C(N(C)C)C2)c(N)cc1F
InChIInChI=1S/C14H22FN3/c1-9-5-13(12(16)6-11(9)15)18-7-10(2)14(8-18)17(3)4/h5-6,10,14H,7-8,16H2,1-4H3
InChIKeyNUWQSFKLADXMKI-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.10
Rot. Bonds2

About 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine

1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 103590608) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID103590608
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1cc(N2CC(C)C(N(C)C)C2)c(N)cc1F
InChIInChI=1S/C14H22FN3/c1-9-5-13(12(16)6-11(9)15)18-7-10(2)14(8-18)17(3)4/h5-6,10,14H,7-8,16H2,1-4H3
InChIKeyNUWQSFKLADXMKI-UHFFFAOYSA-N
XLogP2.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine 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

1-(2-amino-4,5-difluorophenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 112751838
(1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol
CID 81475263
1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81464187
1-(4-amino-2-bromophenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81465268
2-(azepan-1-yl)-5-fluoro-4-methylaniline
CID 103589726
5-fluoro-4-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 103590507
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464769
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline
CID 103590157
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 81465371
1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81460139
1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469750
1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 81475031

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine (CID 103590608) is 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine is Cc1cc(N2CC(C)C(N(C)C)C2)c(N)cc1F.
What is the InChIKey of 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is NUWQSFKLADXMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-9-5-13(12(16)6-11(9)15)18-7-10(2)14(8-18)17(3)4/h5-6,10,14H,7-8,16H2,1-4H3.
What are the key properties of 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 251.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 103590608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).