(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride

C11H16ClF2NO2 — CID 171312907

IUPAC(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCOc1ccc([C@@H](N)CC(F)F)c(OC)c1.Cl
InChIInChI=1S/C11H15F2NO2.ClH/c1-15-7-3-4-8(10(5-7)16-2)9(14)6-11(12)13;/h3-5,9,11H,6,14H2,1-2H3;1H/t9-;/m0./s1
InChIKeyLCROCZPZFYGSIB-FVGYRXGTSA-N
MW267.70 g/mol
LogP2.78
Rot. Bonds5

About (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride

(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171312907) has the molecular formula C11H16ClF2NO2 and a molecular weight of 267.70 g/mol. Its IUPAC name is (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171312907
Molecular FormulaC11H16ClF2NO2
Molecular Weight267.70 g/mol
Exact Mass267.08
IUPAC Name(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCOc1ccc([C@@H](N)CC(F)F)c(OC)c1.Cl
InChIInChI=1S/C11H15F2NO2.ClH/c1-15-7-3-4-8(10(5-7)16-2)9(14)6-11(12)13;/h3-5,9,11H,6,14H2,1-2H3;1H/t9-;/m0./s1
InChIKeyLCROCZPZFYGSIB-FVGYRXGTSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-[(1S)-1-amino-3,3-difluoropropyl]-4-methoxyphenol;hydrochloride
CID 171312960
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1S)-3,3-difluoro-1-(2,4,6-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171312905
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171236205
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171312907) is (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride is COc1ccc([C@@H](N)CC(F)F)c(OC)c1.Cl.
What is the InChIKey of (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is LCROCZPZFYGSIB-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H15F2NO2.ClH/c1-15-7-3-4-8(10(5-7)16-2)9(14)6-11(12)13;/h3-5,9,11H,6,14H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride?
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 267.70 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171312907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).