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

C16H17ClFNO — CID 103039879

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-20-16-5-3-2-4-12(16)10-13(19)8-11-6-7-15(18)14(17)9-11/h2-7,9,13H,8,10,19H2,1H3
InChIKeyMQUGJMHYGAQPTO-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.60
Rot. Bonds5

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

1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine (PubChem CID 103039879) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
PubChem CID103039879
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-20-16-5-3-2-4-12(16)10-13(19)8-11-6-7-15(18)14(17)9-11/h2-7,9,13H,8,10,19H2,1H3
InChIKeyMQUGJMHYGAQPTO-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261796
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 103049616
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine (CID 103039879) is 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(N)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The InChIKey is MQUGJMHYGAQPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-20-16-5-3-2-4-12(16)10-13(19)8-11-6-7-15(18)14(17)9-11/h2-7,9,13H,8,10,19H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 103039879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).