[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine

C15H15ClFNO — CID 43530931

IUPAC[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(COCc2ccccc2Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c16-14-4-2-1-3-12(14)9-19-10-13-6-5-11(8-18)7-15(13)17/h1-7H,8-10,18H2
InChIKeyVZYMVZDHBGVSGX-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.65
Rot. Bonds5

About [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine

[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine (PubChem CID 43530931) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
PubChem CID43530931
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(COCc2ccccc2Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c16-14-4-2-1-3-12(14)9-19-10-13-6-5-11(8-18)7-15(13)17/h1-7H,8-10,18H2
InChIKeyVZYMVZDHBGVSGX-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
[4-[(2-chloro-6-fluorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 83050975
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
CID 60919309
3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
CID 112646463
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine
CID 112587276
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909
[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
CID 102663616
[5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine
CID 107558073
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine (CID 43530931) is [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine is NCc1ccc(COCc2ccccc2Cl)c(F)c1.
What is the InChIKey of [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine?
The InChIKey is VZYMVZDHBGVSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-14-4-2-1-3-12(14)9-19-10-13-6-5-11(8-18)7-15(13)17/h1-7H,8-10,18H2.
What are the key properties of [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine?
[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine has a molecular weight of 279.74 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 43530931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).