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

C14H12Cl2FNO — CID 102855702

IUPAC[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cccc(Cl)c2F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-11-3-1-2-10(14(11)17)8-19-13-5-4-9(7-18)6-12(13)16/h1-6H,7-8,18H2
InChIKeyLJSDHSPDYVNGDA-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.17
Rot. Bonds4

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

[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 102855702) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is [3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID102855702
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cccc(Cl)c2F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-11-3-1-2-10(14(11)17)8-19-13-5-4-9(7-18)6-12(13)16/h1-6H,7-8,18H2
InChIKeyLJSDHSPDYVNGDA-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-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692529
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
2-[3-chloro-4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794314
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
3-[[4-(2-aminoethyl)-2-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107119201
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine (CID 102855702) is [3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine is NCc1ccc(OCc2cccc(Cl)c2F)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is LJSDHSPDYVNGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-11-3-1-2-10(14(11)17)8-19-13-5-4-9(7-18)6-12(13)16/h1-6H,7-8,18H2.
What are the key properties of [3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine?
[3-chloro-4-[(3-chloro-2-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-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 102855702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).