2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide

C16H23ClN2O2 — CID 43278086

IUPAC2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-10(2)19-16(20)11(3)21-15-7-4-13(17)8-12(15)9-18-14-5-6-14/h4,7-8,10-11,14,18H,5-6,9H2,1-3H3,(H,19,20)
InChIKeyJMPPXUGLRRMTAO-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.88
Rot. Bonds7

About 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide

2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide (PubChem CID 43278086) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
PubChem CID43278086
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-10(2)19-16(20)11(3)21-15-7-4-13(17)8-12(15)9-18-14-5-6-14/h4,7-8,10-11,14,18H,5-6,9H2,1-3H3,(H,19,20)
InChIKeyJMPPXUGLRRMTAO-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-cyclopentylpropanamide
CID 60905070
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
CID 43278038
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 115672955
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
CID 107696451
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide (CID 43278086) is 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is JMPPXUGLRRMTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-10(2)19-16(20)11(3)21-15-7-4-13(17)8-12(15)9-18-14-5-6-14/h4,7-8,10-11,14,18H,5-6,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide?
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 310.83 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 43278086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).