2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride

C19H22ClF2NO3 — CID 121482377

IUPAC2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
SMILESCC(Cc1ccc(OCc2cc(F)cc(F)c2)cc1)N(C)CC(=O)O.Cl
InChIInChI=1S/C19H21F2NO3.ClH/c1-13(22(2)11-19(23)24)7-14-3-5-18(6-4-14)25-12-15-8-16(20)10-17(21)9-15;/h3-6,8-10,13H,7,11-12H2,1-2H3,(H,23,24);1H
InChIKeyHUOPRJBHTMQZSP-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.91
Rot. Bonds8

About 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride

2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride (PubChem CID 121482377) has the molecular formula C19H22ClF2NO3 and a molecular weight of 385.84 g/mol. Its IUPAC name is 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
PubChem CID121482377
Molecular FormulaC19H22ClF2NO3
Molecular Weight385.84 g/mol
Exact Mass385.13
IUPAC Name2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
SMILESCC(Cc1ccc(OCc2cc(F)cc(F)c2)cc1)N(C)CC(=O)O.Cl
InChIInChI=1S/C19H21F2NO3.ClH/c1-13(22(2)11-19(23)24)7-14-3-5-18(6-4-14)25-12-15-8-16(20)10-17(21)9-15;/h3-6,8-10,13H,7,11-12H2,1-2H3,(H,23,24);1H
InChIKeyHUOPRJBHTMQZSP-UHFFFAOYSA-N
XLogP3.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482370
2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
CID 122415289
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437
2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid
CID 119139235
2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid
CID 82256147
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 79700300
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
[4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium
CID 167331521
2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 80505706
N-(2,4-difluorophenyl)-2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 71915630

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride (CID 121482377) is 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride is CC(Cc1ccc(OCc2cc(F)cc(F)c2)cc1)N(C)CC(=O)O.Cl.
What is the InChIKey of 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride?
The InChIKey is HUOPRJBHTMQZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3.ClH/c1-13(22(2)11-19(23)24)7-14-3-5-18(6-4-14)25-12-15-8-16(20)10-17(21)9-15;/h3-6,8-10,13H,7,11-12H2,1-2H3,(H,23,24);1H.
What are the key properties of 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride?
2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride has a molecular weight of 385.84 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride is sourced from PubChem (CID 121482377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).