2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride

C14H20Cl2N2O2 — CID 120993759

IUPAC2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1(c2ccccc2Cl)CC1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-19-8-12(16)13(18)17-9-14(6-7-14)10-4-2-3-5-11(10)15;/h2-5,12H,6-9,16H2,1H3,(H,17,18);1H
InChIKeySTRRVYRUBKNVQB-UHFFFAOYSA-N
MW319.23 g/mol
LogP1.88
Rot. Bonds6

About 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120993759) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120993759
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1(c2ccccc2Cl)CC1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-19-8-12(16)13(18)17-9-14(6-7-14)10-4-2-3-5-11(10)15;/h2-5,12H,6-9,16H2,1H3,(H,17,18);1H
InChIKeySTRRVYRUBKNVQB-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987373
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide
CID 110480743
2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide
CID 120989523
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
CID 97330719
2-[[[[1-(2-chlorophenyl)cyclopropyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036066
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-3-methylbutanamide
CID 46978293
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride (CID 120993759) is 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCC1(c2ccccc2Cl)CC1.Cl.
What is the InChIKey of 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is STRRVYRUBKNVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c1-19-8-12(16)13(18)17-9-14(6-7-14)10-4-2-3-5-11(10)15;/h2-5,12H,6-9,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120993759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).