1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride

C13H18ClF2NO — CID 170894074

IUPAC1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(F)c(F)cc1OCC1CC1.Cl
InChIInChI=1S/C13H17F2NO.ClH/c1-8(16)4-10-5-11(14)12(15)6-13(10)17-7-9-2-3-9;/h5-6,8-9H,2-4,7,16H2,1H3;1H
InChIKeyVULUCNPISYBZJA-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.07
Rot. Bonds5

About 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride

1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride (PubChem CID 170894074) has the molecular formula C13H18ClF2NO and a molecular weight of 277.74 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
PubChem CID170894074
Molecular FormulaC13H18ClF2NO
Molecular Weight277.74 g/mol
Exact Mass277.10
IUPAC Name1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(F)c(F)cc1OCC1CC1.Cl
InChIInChI=1S/C13H17F2NO.ClH/c1-8(16)4-10-5-11(14)12(15)6-13(10)17-7-9-2-3-9;/h5-6,8-9H,2-4,7,16H2,1H3;1H
InChIKeyVULUCNPISYBZJA-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[3-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894075
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108
1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine
CID 83893589
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245
1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride (CID 170894074) is 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride is CC(N)Cc1cc(F)c(F)cc1OCC1CC1.Cl.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride?
The InChIKey is VULUCNPISYBZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO.ClH/c1-8(16)4-10-5-11(14)12(15)6-13(10)17-7-9-2-3-9;/h5-6,8-9H,2-4,7,16H2,1H3;1H.
What are the key properties of 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride?
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride has a molecular weight of 277.74 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 170894074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).