3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide

C12H17ClN2O2 — CID 116850280

IUPAC3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1ccc(C(N)CC(=O)N(C)C)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-15(2)12(16)7-10(14)8-4-5-11(17-3)9(13)6-8/h4-6,10H,7,14H2,1-3H3
InChIKeySFCTZMCWAVUAIP-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide

3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide (PubChem CID 116850280) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
PubChem CID116850280
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1ccc(C(N)CC(=O)N(C)C)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-15(2)12(16)7-10(14)8-4-5-11(17-3)9(13)6-8/h4-6,10H,7,14H2,1-3H3
InChIKeySFCTZMCWAVUAIP-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666
4-amino-3-(3-chloro-4-methoxyphenyl)pentanoic acid
CID 66098134
ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate
CID 54927618
methyl 5-amino-5-(3-chloro-4-methoxyphenyl)-3-methylpentanoate
CID 62941825
ethyl (3R)-3-amino-3-(4-chloro-3-methoxyphenyl)propanoate
CID 171211149
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
methyl 6-amino-6-(3-chloro-4-methoxyphenyl)hexanoate
CID 60860664
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide (CID 116850280) is 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide is COc1ccc(C(N)CC(=O)N(C)C)cc1Cl.
What is the InChIKey of 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide?
The InChIKey is SFCTZMCWAVUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15(2)12(16)7-10(14)8-4-5-11(17-3)9(13)6-8/h4-6,10H,7,14H2,1-3H3.
What are the key properties of 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide?
3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide has a molecular weight of 256.73 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 116850280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).