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

C16H23ClN2O2 — CID 62626638

IUPAC3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
SMILESCC(C)NCc1ccc(OCCC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-11(2)18-10-12-3-6-15(14(17)9-12)21-8-7-16(20)19-13-4-5-13/h3,6,9,11,13,18H,4-5,7-8,10H2,1-2H3,(H,19,20)
InChIKeyICXGSPGTHCQOHL-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.89
Rot. Bonds8

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

3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide (PubChem CID 62626638) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
PubChem CID62626638
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
SMILESCC(C)NCc1ccc(OCCC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-11(2)18-10-12-3-6-15(14(17)9-12)21-8-7-16(20)19-13-4-5-13/h3,6,9,11,13,18H,4-5,7-8,10H2,1-2H3,(H,19,20)
InChIKeyICXGSPGTHCQOHL-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide
CID 66347114
N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
CID 65459381
6-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702513
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871
N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
CID 63056850
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
CID 82921576
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122
3-[2-bromo-4-[(propan-2-ylamino)methyl]phenoxy]-N-ethylpropanamide
CID 63044681
3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide
CID 62628472
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide (CID 62626638) is 3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide is CC(C)NCc1ccc(OCCC(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide?
The InChIKey is ICXGSPGTHCQOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(2)18-10-12-3-6-15(14(17)9-12)21-8-7-16(20)19-13-4-5-13/h3,6,9,11,13,18H,4-5,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide?
3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide has a molecular weight of 310.82 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 62626638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).