2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide

C14H21ClN2O3 — CID 62899819

IUPAC2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide
SMILESCCNCc1cc(Cl)c(OC(CC)C(N)=O)c(OC)c1
InChIInChI=1S/C14H21ClN2O3/c1-4-11(14(16)18)20-13-10(15)6-9(8-17-5-2)7-12(13)19-3/h6-7,11,17H,4-5,8H2,1-3H3,(H2,16,18)
InChIKeyRUKICYIDDSHCLP-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.10
Rot. Bonds8

About 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide

2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide (PubChem CID 62899819) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide.

Molecular Properties

Compound Name2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide
PubChem CID62899819
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide
SMILESCCNCc1cc(Cl)c(OC(CC)C(N)=O)c(OC)c1
InChIInChI=1S/C14H21ClN2O3/c1-4-11(14(16)18)20-13-10(15)6-9(8-17-5-2)7-12(13)19-3/h6-7,11,17H,4-5,8H2,1-3H3,(H2,16,18)
InChIKeyRUKICYIDDSHCLP-UHFFFAOYSA-N
XLogP2.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
CID 55132192
ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
CID 60879110
3-[4-(1-amino-1-oxobutan-2-yl)oxy-3-chloro-5-methoxyphenyl]prop-2-enoic acid
CID 76977017
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide
CID 62901223
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide
CID 43622339
2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43276554
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
2-[2-chloro-6-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63062500
N-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43213831
ethyl 2-(2-chloro-4-formyl-6-methoxyphenoxy)butanoate
CID 64662755
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
CID 43276505

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide?
The IUPAC name of 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide (CID 62899819) is 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide.
What is the SMILES notation for 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide?
The canonical SMILES for 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide is CCNCc1cc(Cl)c(OC(CC)C(N)=O)c(OC)c1.
What is the InChIKey of 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide?
The InChIKey is RUKICYIDDSHCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-4-11(14(16)18)20-13-10(15)6-9(8-17-5-2)7-12(13)19-3/h6-7,11,17H,4-5,8H2,1-3H3,(H2,16,18).
What are the key properties of 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide?
2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide has a molecular weight of 300.79 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide is sourced from PubChem (CID 62899819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).