2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride

C19H22ClNO2 — CID 70168842

IUPAC2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNCC1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C19H21NO2.ClH/c21-18(22)13-20-12-16-11-10-14-6-4-5-9-17(14)19(16)15-7-2-1-3-8-15;/h1-9,16,19-20H,10-13H2,(H,21,22);1H
InChIKeyMDEVWNJGOHCNNK-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.48
Rot. Bonds5

About 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride

2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride (PubChem CID 70168842) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride
PubChem CID70168842
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNCC1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C19H21NO2.ClH/c21-18(22)13-20-12-16-11-10-14-6-4-5-9-17(14)19(16)15-7-2-1-3-8-15;/h1-9,16,19-20H,10-13H2,(H,21,22);1H
InChIKeyMDEVWNJGOHCNNK-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid
CID 70166753
2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid
CID 70166397
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 18477073
methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 18477138
2-(1-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 173357545
2-phenyl-N-[[(1S,2R)-1-phenyl-6-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]ethanamine
CID 70166391
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1H-inden-1-ylmethyl)acetamide;hydrochloride
CID 119783179
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
2-[(2-cyclopropylphenyl)methylamino]acetic acid
CID 79979274
2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
CID 21310563

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride (CID 70168842) is 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride is Cl.O=C(O)CNCC1CCc2ccccc2C1c1ccccc1.
What is the InChIKey of 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride?
The InChIKey is MDEVWNJGOHCNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.ClH/c21-18(22)13-20-12-16-11-10-14-6-4-5-9-17(14)19(16)15-7-2-1-3-8-15;/h1-9,16,19-20H,10-13H2,(H,21,22);1H.
What are the key properties of 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride?
2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride is sourced from PubChem (CID 70168842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).