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

C20H26ClNO4 — CID 121482370

IUPAC2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
SMILESCOc1cccc(COc2ccc(CC(C)N(C)CC(=O)O)cc2)c1.Cl
InChIInChI=1S/C20H25NO4.ClH/c1-15(21(2)13-20(22)23)11-16-7-9-18(10-8-16)25-14-17-5-4-6-19(12-17)24-3;/h4-10,12,15H,11,13-14H2,1-3H3,(H,22,23);1H
InChIKeyYPFDODFKKZUQAO-UHFFFAOYSA-N
MW379.88 g/mol
LogP3.64
Rot. Bonds9

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

2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride (PubChem CID 121482370) has the molecular formula C20H26ClNO4 and a molecular weight of 379.88 g/mol. Its IUPAC name is 2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
PubChem CID121482370
Molecular FormulaC20H26ClNO4
Molecular Weight379.88 g/mol
Exact Mass379.16
IUPAC Name2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
SMILESCOc1cccc(COc2ccc(CC(C)N(C)CC(=O)O)cc2)c1.Cl
InChIInChI=1S/C20H25NO4.ClH/c1-15(21(2)13-20(22)23)11-16-7-9-18(10-8-16)25-14-17-5-4-6-19(12-17)24-3;/h4-10,12,15H,11,13-14H2,1-3H3,(H,22,23);1H
InChIKeyYPFDODFKKZUQAO-UHFFFAOYSA-N
XLogP3.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
CID 122415289
2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482377
2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
CID 138600594
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
3-[(3-methoxyphenyl)methoxy]butanoic acid
CID 43536105
(3R)-3-[4-[(3-methoxyphenyl)methoxy]phenyl]hex-4-ynoic acid
CID 124504866
2-[[1-(3-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 112513433
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097
N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865
N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide
CID 2489691

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride (CID 121482370) is 2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride is COc1cccc(COc2ccc(CC(C)N(C)CC(=O)O)cc2)c1.Cl.
What is the InChIKey of 2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride?
The InChIKey is YPFDODFKKZUQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4.ClH/c1-15(21(2)13-20(22)23)11-16-7-9-18(10-8-16)25-14-17-5-4-6-19(12-17)24-3;/h4-10,12,15H,11,13-14H2,1-3H3,(H,22,23);1H.
What are the key properties of 2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride?
2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride has a molecular weight of 379.88 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride is sourced from PubChem (CID 121482370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).