N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride

C19H24Cl2N2O2 — CID 119583694

IUPACN-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)Cc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C19H23ClN2O2.ClH/c1-14(12-21)22(2)19(23)11-15-6-5-8-17(10-15)24-13-16-7-3-4-9-18(16)20;/h3-10,14H,11-13,21H2,1-2H3;1H
InChIKeyICOWZSIMMDBXQN-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.69
Rot. Bonds7

About N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride

N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride (PubChem CID 119583694) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride
PubChem CID119583694
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC NameN-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)Cc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C19H23ClN2O2.ClH/c1-14(12-21)22(2)19(23)11-15-6-5-8-17(10-15)24-13-16-7-3-4-9-18(16)20;/h3-10,14H,11-13,21H2,1-2H3;1H
InChIKeyICOWZSIMMDBXQN-UHFFFAOYSA-N
XLogP3.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443234
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CID 119584839
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
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N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
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N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
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3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 119581459
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
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N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride (CID 119583694) is N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride is CC(CN)N(C)C(=O)Cc1cccc(OCc2ccccc2Cl)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride?
The InChIKey is ICOWZSIMMDBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2.ClH/c1-14(12-21)22(2)19(23)11-15-6-5-8-17(10-15)24-13-16-7-3-4-9-18(16)20;/h3-10,14H,11-13,21H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride has a molecular weight of 383.32 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119583694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).