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

C16H17ClFNO — CID 114886007

IUPAC1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-10-12(17)5-8-15(14)18/h2-3,5-8,10,16H,4,9,19H2,1H3
InChIKeyYCTDOPWZDITKSV-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.12
Rot. Bonds5

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

1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 114886007) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
PubChem CID114886007
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-10-12(17)5-8-15(14)18/h2-3,5-8,10,16H,4,9,19H2,1H3
InChIKeyYCTDOPWZDITKSV-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114894603
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 65446088
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
[1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105219321
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4,5-trifluorobenzene
CID 103303705
(1S)-4,4,4-trifluoro-1-(2-fluoro-5-methoxyphenyl)butan-1-amine;hydrochloride
CID 171229245
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine (CID 114886007) is 1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(CCC(N)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is YCTDOPWZDITKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-10-12(17)5-8-15(14)18/h2-3,5-8,10,16H,4,9,19H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 293.77 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 114886007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).