(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium

C15H22ClN2O2+ — CID 9136792

IUPAC(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(15(19)17-13-5-6-13)18(2)9-11-8-12(16)4-7-14(11)20-3/h4,7-8,10,13H,5-6,9H2,1-3H3,(H,17,19)/p+1/t10-/m0/s1
InChIKeyQWPUURJFEPDDNZ-JTQLQIEISA-O
MW297.81 g/mol
LogP1.03
Rot. Bonds6

About (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium

(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 9136792) has the molecular formula C15H22ClN2O2+ and a molecular weight of 297.81 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium
PubChem CID9136792
Molecular FormulaC15H22ClN2O2+
Molecular Weight297.81 g/mol
Exact Mass297.14
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(15(19)17-13-5-6-13)18(2)9-11-8-12(16)4-7-14(11)20-3/h4,7-8,10,13H,5-6,9H2,1-3H3,(H,17,19)/p+1/t10-/m0/s1
InChIKeyQWPUURJFEPDDNZ-JTQLQIEISA-O
XLogP1.03
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium with MolForge

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9136846
(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide
CID 9136796
(5-chloro-2-methoxyphenyl)methyl-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9136940
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51325438
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8681786
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 2509122
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694028
(5-chloro-2-methoxyphenyl)methyl-methyl-[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium
CID 9137082
(5-bromo-2-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 2438618
(2-methoxy-5-methylphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8805562
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
CID 54929439

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium (CID 9136792) is (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium is COc1ccc(Cl)cc1C[NH+](C)[C@@H](C)C(=O)NC1CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is QWPUURJFEPDDNZ-JTQLQIEISA-O. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(15(19)17-13-5-6-13)18(2)9-11-8-12(16)4-7-14(11)20-3/h4,7-8,10,13H,5-6,9H2,1-3H3,(H,17,19)/p+1/t10-/m0/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium?
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 297.81 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9136792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).