2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine

C16H17ClFNO — CID 114834072

IUPAC2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine
SMILESCOc1cc(C(C)(N)Cc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-16(19,10-11-4-3-5-13(18)8-11)12-6-7-14(17)15(9-12)20-2/h3-9H,10,19H2,1-2H3
InChIKeyFUWULADTEJULKF-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.90
Rot. Bonds4

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

2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine (PubChem CID 114834072) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine
PubChem CID114834072
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine
SMILESCOc1cc(C(C)(N)Cc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-16(19,10-11-4-3-5-13(18)8-11)12-6-7-14(17)15(9-12)20-2/h3-9H,10,19H2,1-2H3
InChIKeyFUWULADTEJULKF-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-Chloro-2-fluoro-3-phenoxyphenyl)propan-1-amine
CID 60160558
(1r)-1-(4-Chloro-2-Fluoro-3-Phenoxyphenyl)propan-1-Aminium
CID 60196222
(4-Chloro-3-methoxyphenyl)methanamine
CID 15548036
(4-Chloro-3-methoxyphenyl)methanamine hydrochloride
CID 19701901
(4-Chlorophenyl)(3-methoxyphenyl)methanamine
CID 24688772
2-(4-Chloro-3-methoxyphenyl)-2-fluoroethan-1-amine
CID 112562764
2-Amino-2-(4-chloro-2-fluoro-5-methoxyphenyl)acetonitrile
CID 19365493
1-Chloro-4-(2-fluorophenyl)-2-methoxybenzene
CID 46314333
4-Chloro-2-fluoro-3-methoxybenzylamine
CID 66523543
4'-Chloro-3,5-difluoro-3'-methoxybiphenyl-4-amine
CID 66997637
3,4'-Dichloro-5-fluoro-3'-methoxybiphenyl-4-amine
CID 66997647
(1R,2S)-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propane-1,2-diamine
CID 67058355

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine (CID 114834072) is 2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine is COc1cc(C(C)(N)Cc2cccc(F)c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is FUWULADTEJULKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-16(19,10-11-4-3-5-13(18)8-11)12-6-7-14(17)15(9-12)20-2/h3-9H,10,19H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine?
2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 114834072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).