(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine

C10H12ClF2NO — CID 171313978

IUPAC(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
SMILESCOc1ccc(Cl)cc1[C@H](N)CC(F)F
InChIInChI=1S/C10H12ClF2NO/c1-15-9-3-2-6(11)4-7(9)8(14)5-10(12)13/h2-4,8,10H,5,14H2,1H3/t8-/m1/s1
InChIKeyRXSKNRVFPKCFAG-MRVPVSSYSA-N
MW235.66 g/mol
LogP3.00
Rot. Bonds4

About (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine

(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine (PubChem CID 171313978) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
PubChem CID171313978
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
SMILESCOc1ccc(Cl)cc1[C@H](N)CC(F)F
InChIInChI=1S/C10H12ClF2NO/c1-15-9-3-2-6(11)4-7(9)8(14)5-10(12)13/h2-4,8,10H,5,14H2,1H3/t8-/m1/s1
InChIKeyRXSKNRVFPKCFAG-MRVPVSSYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(1S)-1-(5-bromo-2-methoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312925
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
2-[(1R)-1-amino-3,3-difluoropropyl]-4-chloroaniline
CID 171313952
1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 105141041
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)propanenitrile;hydrochloride
CID 171260205

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine?
The IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine (CID 171313978) is (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine is COc1ccc(Cl)cc1[C@H](N)CC(F)F.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine?
The InChIKey is RXSKNRVFPKCFAG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c1-15-9-3-2-6(11)4-7(9)8(14)5-10(12)13/h2-4,8,10H,5,14H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine?
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine has a molecular weight of 235.66 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 171313978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).