(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine

C15H15ClFNO — CID 105394638

IUPAC(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-19-12-5-3-4-10(8-12)15(18)13-9-11(17)6-7-14(13)16/h3-9,15H,2,18H2,1H3
InChIKeyMRZWJWMREDIKHB-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.93
Rot. Bonds4

About (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine

(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine (PubChem CID 105394638) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
PubChem CID105394638
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-19-12-5-3-4-10(8-12)15(18)13-9-11(17)6-7-14(13)16/h3-9,15H,2,18H2,1H3
InChIKeyMRZWJWMREDIKHB-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 105022224
(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 107513083
(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 114906102
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235
(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105394656
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine (CID 105394638) is (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine is CCOc1cccc(C(N)c2cc(F)ccc2Cl)c1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine?
The InChIKey is MRZWJWMREDIKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-19-12-5-3-4-10(8-12)15(18)13-9-11(17)6-7-14(13)16/h3-9,15H,2,18H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine?
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine has a molecular weight of 279.74 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine is sourced from PubChem (CID 105394638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).