2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide

C14H21ClN2O3 — CID 43276589

IUPAC2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Cl)cc(CNC(C)C)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-9(2)17-7-10-5-11(15)14(12(6-10)19-4)20-8-13(18)16-3/h5-6,9,17H,7-8H2,1-4H3,(H,16,18)
InChIKeySYNVLDAPRYLRTH-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.97
Rot. Bonds7

About 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide

2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide (PubChem CID 43276589) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
PubChem CID43276589
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Cl)cc(CNC(C)C)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-9(2)17-7-10-5-11(15)14(12(6-10)19-4)20-8-13(18)16-3/h5-6,9,17H,7-8H2,1-4H3,(H,16,18)
InChIKeySYNVLDAPRYLRTH-UHFFFAOYSA-N
XLogP1.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methyl]propan-2-amine
CID 60879295
N-[[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43276583
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-chloro-6-methoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]-N-phenylacetamide
CID 2217368
2-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43276523
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 17155955
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide
CID 119122685
(2R)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-4-methylpentanoic acid
CID 99124104
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide (CID 43276589) is 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1c(Cl)cc(CNC(C)C)cc1OC.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide?
The InChIKey is SYNVLDAPRYLRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9(2)17-7-10-5-11(15)14(12(6-10)19-4)20-8-13(18)16-3/h5-6,9,17H,7-8H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide?
2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide has a molecular weight of 300.79 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 43276589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).