1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine

C16H17ClFN — CID 102618765

IUPAC1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFN/c1-11-4-2-3-5-12(11)9-15(19)10-13-8-14(18)6-7-16(13)17/h2-8,15H,9-10,19H2,1H3
InChIKeyDTXROYUYMGPSRO-UHFFFAOYSA-N
MW277.77 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine

1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine (PubChem CID 102618765) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
PubChem CID102618765
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFN/c1-11-4-2-3-5-12(11)9-15(19)10-13-8-14(18)6-7-16(13)17/h2-8,15H,9-10,19H2,1H3
InChIKeyDTXROYUYMGPSRO-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(2-chloro-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 102618830
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-[1-bromo-2-(2-methylphenyl)ethyl]-2-chloro-4-fluorobenzene
CID 63544531
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618465
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102619488
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine (CID 102618765) is 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(N)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine?
The InChIKey is DTXROYUYMGPSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-4-2-3-5-12(11)9-15(19)10-13-8-14(18)6-7-16(13)17/h2-8,15H,9-10,19H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine?
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 102618765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).