N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine

C16H17ClFNO — CID 107686830

IUPACN-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H17ClFNO/c1-2-19-10-13-5-8-16(15(18)9-13)20-11-12-3-6-14(17)7-4-12/h3-9,19H,2,10-11H2,1H3
InChIKeyHOWORRLKBPGAKM-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.17
Rot. Bonds6

About N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine

N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine (PubChem CID 107686830) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
PubChem CID107686830
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H17ClFNO/c1-2-19-10-13-5-8-16(15(18)9-13)20-11-12-3-6-14(17)7-4-12/h3-9,19H,2,10-11H2,1H3
InChIKeyHOWORRLKBPGAKM-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
N-[[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686901
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[4-[(3-chloro-4-pyridinyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686953
N-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 71052508
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718394
N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686976
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine (CID 107686830) is N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine is CCNCc1ccc(OCc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine?
The InChIKey is HOWORRLKBPGAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-19-10-13-5-8-16(15(18)9-13)20-11-12-3-6-14(17)7-4-12/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine?
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107686830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).