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

C16H17ClFN — CID 43625242

IUPAC(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H17ClFN/c1-10(2)11-3-5-12(6-4-11)16(19)14-9-13(17)7-8-15(14)18/h3-10,16H,19H2,1-2H3
InChIKeyFLKNINODQMGFBS-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.65
Rot. Bonds3

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

(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 43625242) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID43625242
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H17ClFN/c1-10(2)11-3-5-12(6-4-11)16(19)14-9-13(17)7-8-15(14)18/h3-10,16H,19H2,1-2H3
InChIKeyFLKNINODQMGFBS-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120935
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66258008
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 62801900
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
CID 116936695

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine (CID 43625242) is (5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(C(N)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is FLKNINODQMGFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10(2)11-3-5-12(6-4-11)16(19)14-9-13(17)7-8-15(14)18/h3-10,16H,19H2,1-2H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine?
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 277.77 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 43625242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).