3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide

C15H23ClN2O3 — CID 104665105

IUPAC3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCOc1cc(Cl)cc(CNCC(C)C)c1OCCC(N)=O
InChIInChI=1S/C15H23ClN2O3/c1-10(2)8-18-9-11-6-12(16)7-13(20-3)15(11)21-5-4-14(17)19/h6-7,10,18H,4-5,8-9H2,1-3H3,(H2,17,19)
InChIKeyFUFZSXAVDPXXDI-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.35
Rot. Bonds9

About 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide

3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide (PubChem CID 104665105) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
PubChem CID104665105
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCOc1cc(Cl)cc(CNCC(C)C)c1OCCC(N)=O
InChIInChI=1S/C15H23ClN2O3/c1-10(2)8-18-9-11-6-12(16)7-13(20-3)15(11)21-5-4-14(17)19/h6-7,10,18H,4-5,8-9H2,1-3H3,(H2,17,19)
InChIKeyFUFZSXAVDPXXDI-UHFFFAOYSA-N
XLogP2.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-3-methoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 104665122
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471773
4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 104664581
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471775
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 104664877
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide
CID 63056123
4-[4-chloro-2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]butan-2-ol
CID 104664940
methyl 4-[4-chloro-2-[(2-methylpropylamino)methyl]phenoxy]butanoate
CID 63056201
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N,N-dimethylbutanamide
CID 104664419
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The IUPAC name of 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide (CID 104665105) is 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The canonical SMILES for 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide is COc1cc(Cl)cc(CNCC(C)C)c1OCCC(N)=O.
What is the InChIKey of 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The InChIKey is FUFZSXAVDPXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-10(2)8-18-9-11-6-12(16)7-13(20-3)15(11)21-5-4-14(17)19/h6-7,10,18H,4-5,8-9H2,1-3H3,(H2,17,19).
What are the key properties of 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide?
3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide has a molecular weight of 314.81 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 104665105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).