1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine

C16H16ClF2NO — CID 105407334

IUPAC1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H16ClF2NO/c1-10(20)5-14-15(17)3-2-4-16(14)21-9-11-6-12(18)8-13(19)7-11/h2-4,6-8,10H,5,9,20H2,1H3
InChIKeyOILRDHKSCGULKT-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.09
Rot. Bonds5

About 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine

1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 105407334) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID105407334
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H16ClF2NO/c1-10(20)5-14-15(17)3-2-4-16(14)21-9-11-6-12(18)8-13(19)7-11/h2-4,6-8,10H,5,9,20H2,1H3
InChIKeyOILRDHKSCGULKT-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321906
3-[[2-(2-aminopropyl)-3-chlorophenoxy]methyl]benzonitrile
CID 114321709
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
CID 114318396
1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 113277151
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
3-[[2-(aminomethyl)-3-chlorophenoxy]methyl]-5-fluorobenzonitrile
CID 114318352
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 63368063

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine (CID 105407334) is 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1c(Cl)cccc1OCc1cc(F)cc(F)c1.
What is the InChIKey of 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is OILRDHKSCGULKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-10(20)5-14-15(17)3-2-4-16(14)21-9-11-6-12(18)8-13(19)7-11/h2-4,6-8,10H,5,9,20H2,1H3.
What are the key properties of 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine?
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 311.76 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 105407334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).