[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine

C14H12Cl2FNO — CID 102615201

IUPAC[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cc(F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-12-3-2-11(17)6-10(12)8-19-14-4-1-9(7-18)5-13(14)16/h1-6H,7-8,18H2
InChIKeySVQPNTIKPNJOAM-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.17
Rot. Bonds4

About [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine

[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 102615201) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID102615201
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cc(F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-12-3-2-11(17)6-10(12)8-19-14-4-1-9(7-18)5-13(14)16/h1-6H,7-8,18H2
InChIKeySVQPNTIKPNJOAM-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 102615256
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 102616119
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114348483
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531259
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine (CID 102615201) is [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine is NCc1ccc(OCc2cc(F)ccc2Cl)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is SVQPNTIKPNJOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-12-3-2-11(17)6-10(12)8-19-14-4-1-9(7-18)5-13(14)16/h1-6H,7-8,18H2.
What are the key properties of [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine?
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 300.16 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 102615201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).