3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide

C16H21ClN2O2 — CID 62626106

IUPAC3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
SMILESO=C(CCOc1ccc(Cl)cc1CNC1CC1)NC1CC1
InChIInChI=1S/C16H21ClN2O2/c17-12-1-6-15(11(9-12)10-18-13-2-3-13)21-8-7-16(20)19-14-4-5-14/h1,6,9,13-14,18H,2-5,7-8,10H2,(H,19,20)
InChIKeyNDIGUTUXCUIUEF-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.64
Rot. Bonds8

About 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide

3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide (PubChem CID 62626106) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
PubChem CID62626106
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
SMILESO=C(CCOc1ccc(Cl)cc1CNC1CC1)NC1CC1
InChIInChI=1S/C16H21ClN2O2/c17-12-1-6-15(11(9-12)10-18-13-2-3-13)21-8-7-16(20)19-14-4-5-14/h1,6,9,13-14,18H,2-5,7-8,10H2,(H,19,20)
InChIKeyNDIGUTUXCUIUEF-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide
CID 62628472
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
4-chloro-2-[3-(cyclopropylamino)-3-oxopropoxy]benzoic acid
CID 55098633
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid
CID 80740402
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
CID 82921576
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63099859

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide (CID 62626106) is 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide is O=C(CCOc1ccc(Cl)cc1CNC1CC1)NC1CC1.
What is the InChIKey of 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide?
The InChIKey is NDIGUTUXCUIUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-12-1-6-15(11(9-12)10-18-13-2-3-13)21-8-7-16(20)19-14-4-5-14/h1,6,9,13-14,18H,2-5,7-8,10H2,(H,19,20).
What are the key properties of 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide?
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide has a molecular weight of 308.81 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 62626106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).