(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide

C15H21ClN2O2 — CID 9136796

IUPAC(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide
SMILESCOc1ccc(Cl)cc1CN(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)/t10-/m1/s1
InChIKeyQWPUURJFEPDDNZ-SNVBAGLBSA-N
MW296.80 g/mol
LogP2.45
Rot. Bonds6

About (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide

(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide (PubChem CID 9136796) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide
PubChem CID9136796
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide
SMILESCOc1ccc(Cl)cc1CN(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)/t10-/m1/s1
InChIKeyQWPUURJFEPDDNZ-SNVBAGLBSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 9137098
(2R)-N-cyclopropyl-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 8680316
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium
CID 9136792
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78820444
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 6464021
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51325438
(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 8681787
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
2-[(5-chloro-2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036987
3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 54925840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide (CID 9136796) is (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide is COc1ccc(Cl)cc1CN(C)[C@H](C)C(=O)NC1CC1.
What is the InChIKey of (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide?
The InChIKey is QWPUURJFEPDDNZ-SNVBAGLBSA-N. 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)/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide?
(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 9136796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).