3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol

C14H13ClFNO — CID 55087063

IUPAC3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol
SMILESOc1cccc(CNCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H13ClFNO/c15-13-7-11(4-5-14(13)16)9-17-8-10-2-1-3-12(18)6-10/h1-7,17-18H,8-9H2
InChIKeyVLAHIUFATZQMSH-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.47
Rot. Bonds4

About 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol (PubChem CID 55087063) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol
PubChem CID55087063
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol
SMILESOc1cccc(CNCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H13ClFNO/c15-13-7-11(4-5-14(13)16)9-17-8-10-2-1-3-12(18)6-10/h1-7,17-18H,8-9H2
InChIKeyVLAHIUFATZQMSH-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-chlorophenyl)methylamino]methyl]phenol
CID 28738427
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 60615873
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 62539082
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
2-bromo-N-[(3-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 62537461
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
N-[[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 103037800
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol?
The IUPAC name of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol (CID 55087063) is 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol?
The canonical SMILES for 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol is Oc1cccc(CNCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol?
The InChIKey is VLAHIUFATZQMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-13-7-11(4-5-14(13)16)9-17-8-10-2-1-3-12(18)6-10/h1-7,17-18H,8-9H2.
What are the key properties of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol?
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol has a molecular weight of 265.72 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol is sourced from PubChem (CID 55087063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).