(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine

C16H17ClFNO — CID 43120935

IUPAC(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10,16H,19H2,1-2H3
InChIKeyJXXKJARIISZXRK-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.31
Rot. Bonds4

About (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine

(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 43120935) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine
PubChem CID43120935
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10,16H,19H2,1-2H3
InChIKeyJXXKJARIISZXRK-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
CID 79016093
(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66258008
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79737100
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 105144621
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 63088821
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine (CID 43120935) is (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccc(C(N)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is JXXKJARIISZXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10,16H,19H2,1-2H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine?
(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 293.77 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 43120935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).