2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide

C15H23ClN2O2 — CID 63058381

IUPAC2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(CNCC(C)C)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-10(2)8-18-9-12-5-6-14(13(16)7-12)20-11(3)15(19)17-4/h5-7,10-11,18H,8-9H2,1-4H3,(H,17,19)
InChIKeyNSSFFGJZBTXTPP-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.60
Rot. Bonds7

About 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide

2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide (PubChem CID 63058381) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
PubChem CID63058381
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(CNCC(C)C)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-10(2)8-18-9-12-5-6-14(13(16)7-12)20-11(3)15(19)17-4/h5-7,10-11,18H,8-9H2,1-4H3,(H,17,19)
InChIKeyNSSFFGJZBTXTPP-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
CID 61389158
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]butanoic acid
CID 64667928
N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63056226
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
(2S)-1-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996926
2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 107743993
2-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 79883879
3-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]propan-1-ol
CID 63056516
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278792
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide (CID 63058381) is 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1ccc(CNCC(C)C)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The InChIKey is NSSFFGJZBTXTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(2)8-18-9-12-5-6-14(13(16)7-12)20-11(3)15(19)17-4/h5-7,10-11,18H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide has a molecular weight of 298.81 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 63058381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).