2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide

C14H21ClN2O2 — CID 114318673

IUPAC2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCNCc1c(Cl)cccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C14H21ClN2O2/c1-9(2)17-14(18)10(3)19-13-7-5-6-12(15)11(13)8-16-4/h5-7,9-10,16H,8H2,1-4H3,(H,17,18)
InChIKeyYQDPCNGSBRXJTC-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.35
Rot. Bonds6

About 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide

2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 114318673) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
PubChem CID114318673
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCNCc1c(Cl)cccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C14H21ClN2O2/c1-9(2)17-14(18)10(3)19-13-7-5-6-12(15)11(13)8-16-4/h5-7,9-10,16H,8H2,1-4H3,(H,17,18)
InChIKeyYQDPCNGSBRXJTC-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 113276915
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 114321561
3-[3-chloro-2-(methylaminomethyl)phenoxy]butan-2-ol
CID 114318725
2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide
CID 113277246
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962
2-chloro-6-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 114320340
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 114319148
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
ethyl 2-[3-chloro-2-(methylaminomethyl)phenoxy]pentanoate
CID 83037956
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate
CID 114319806
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 114320670

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide (CID 114318673) is 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide is CNCc1c(Cl)cccc1OC(C)C(=O)NC(C)C.
What is the InChIKey of 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is YQDPCNGSBRXJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)17-14(18)10(3)19-13-7-5-6-12(15)11(13)8-16-4/h5-7,9-10,16H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide?
2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114318673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).