1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine

C16H15ClFNO — CID 116532012

IUPAC1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESCOc1cc(C2(N)CCc3cc(F)ccc32)ccc1Cl
InChIInChI=1S/C16H15ClFNO/c1-20-15-9-11(2-5-14(15)17)16(19)7-6-10-8-12(18)3-4-13(10)16/h2-5,8-9H,6-7,19H2,1H3
InChIKeyUZYGLFFOQQBLEP-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.64
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine

1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine (PubChem CID 116532012) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine
PubChem CID116532012
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESCOc1cc(C2(N)CCc3cc(F)ccc32)ccc1Cl
InChIInChI=1S/C16H15ClFNO/c1-20-15-9-11(2-5-14(15)17)16(19)7-6-10-8-12(18)3-4-13(10)16/h2-5,8-9H,6-7,19H2,1H3
InChIKeyUZYGLFFOQQBLEP-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531885
1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79701029
5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
CID 116532005
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
4-(4-chloro-3-methoxyphenyl)oxan-4-amine
CID 79700577
1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531960
5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine
CID 116532073
1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 107559695
1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79371978
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylcyclohexan-1-amine
CID 79698794
1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531723

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine (CID 116532012) is 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine is COc1cc(C2(N)CCc3cc(F)ccc32)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine?
The InChIKey is UZYGLFFOQQBLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-20-15-9-11(2-5-14(15)17)16(19)7-6-10-8-12(18)3-4-13(10)16/h2-5,8-9H,6-7,19H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine?
1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine has a molecular weight of 291.75 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116532012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).