3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine

C13H19ClFN — CID 102616760

IUPAC3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)C(Cc1cc(F)ccc1Cl)C(C)N
InChIInChI=1S/C13H19ClFN/c1-8(2)12(9(3)16)7-10-6-11(15)4-5-13(10)14/h4-6,8-9,12H,7,16H2,1-3H3
InChIKeyRLTXBMILMROEDR-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.64
Rot. Bonds4

About 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine

3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine (PubChem CID 102616760) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine
PubChem CID102616760
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)C(Cc1cc(F)ccc1Cl)C(C)N
InChIInChI=1S/C13H19ClFN/c1-8(2)12(9(3)16)7-10-6-11(15)4-5-13(10)14/h4-6,8-9,12H,7,16H2,1-3H3
InChIKeyRLTXBMILMROEDR-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-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

3-[(2-bromo-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 62915813
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
CID 102623136
2-chloro-1-[2-(1-chloroethyl)-3-methylbutyl]-4-fluorobenzene
CID 63472643
6-(2-chloro-5-fluorophenyl)-2-methylhexan-3-amine
CID 102620442
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
3-(2-chloro-5-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 102619111
1-(2-chloro-5-fluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312379
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 102618763

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine (CID 102616760) is 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine is CC(C)C(Cc1cc(F)ccc1Cl)C(C)N.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is RLTXBMILMROEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-8(2)12(9(3)16)7-10-6-11(15)4-5-13(10)14/h4-6,8-9,12H,7,16H2,1-3H3.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine?
3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 243.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 102616760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).