1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride

C11H16ClF2NO — CID 170894171

IUPAC1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
SMILESCCOc1c(F)cc(CC(C)N)cc1F.Cl
InChIInChI=1S/C11H15F2NO.ClH/c1-3-15-11-9(12)5-8(4-7(2)14)6-10(11)13;/h5-7H,3-4,14H2,1-2H3;1H
InChIKeyIHKCQUJHULWKOU-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride

1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride (PubChem CID 170894171) has the molecular formula C11H16ClF2NO and a molecular weight of 251.70 g/mol. Its IUPAC name is 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
PubChem CID170894171
Molecular FormulaC11H16ClF2NO
Molecular Weight251.70 g/mol
Exact Mass251.09
IUPAC Name1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
SMILESCCOc1c(F)cc(CC(C)N)cc1F.Cl
InChIInChI=1S/C11H15F2NO.ClH/c1-3-15-11-9(12)5-8(4-7(2)14)6-10(11)13;/h5-7H,3-4,14H2,1-2H3;1H
InChIKeyIHKCQUJHULWKOU-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652
3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79887691
(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
CID 139743645
1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 79888311
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 79888393
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride (CID 170894171) is 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride is CCOc1c(F)cc(CC(C)N)cc1F.Cl.
What is the InChIKey of 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride?
The InChIKey is IHKCQUJHULWKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO.ClH/c1-3-15-11-9(12)5-8(4-7(2)14)6-10(11)13;/h5-7H,3-4,14H2,1-2H3;1H.
What are the key properties of 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride?
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride has a molecular weight of 251.70 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170894171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).