3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine

C16H17ClFN — CID 102619951

IUPAC3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11-2-4-12(5-3-11)14(10-19)8-13-9-15(18)6-7-16(13)17/h2-7,9,14H,8,10,19H2,1H3
InChIKeyBZCYVLGQDKOEBN-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.07
Rot. Bonds4

About 3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine

3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine (PubChem CID 102619951) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
PubChem CID102619951
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11-2-4-12(5-3-11)14(10-19)8-13-9-15(18)6-7-16(13)17/h2-7,9,14H,8,10,19H2,1H3
InChIKeyBZCYVLGQDKOEBN-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114348931
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
CID 79442407
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine
CID 83819971
3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79437313
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine (CID 102619951) is 3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine is Cc1ccc(C(CN)Cc2cc(F)ccc2Cl)cc1.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine?
The InChIKey is BZCYVLGQDKOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-2-4-12(5-3-11)14(10-19)8-13-9-15(18)6-7-16(13)17/h2-7,9,14H,8,10,19H2,1H3.
What are the key properties of 3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine?
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 4.07, 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)-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 102619951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).