2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide

C15H23ClN2O2 — CID 61389141

IUPAC2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(CN)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-3-4-5-8-18-15(19)11(2)20-14-7-6-12(10-17)9-13(14)16/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyIBMQGOUDNXNXDF-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.87
Rot. Bonds8

About 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide

2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide (PubChem CID 61389141) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
PubChem CID61389141
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(CN)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-3-4-5-8-18-15(19)11(2)20-14-7-6-12(10-17)9-13(14)16/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyIBMQGOUDNXNXDF-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
CID 61389158
2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide
CID 54984073
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide
CID 82913977
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
CID 43122445
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420
2-(2-chloro-4-ethylphenoxy)propanehydrazide
CID 54793011
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427
2-[4-(aminomethyl)-2-bromophenoxy]-N-(3-methoxypropyl)propanamide
CID 63046345
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide (CID 61389141) is 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1ccc(CN)cc1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide?
The InChIKey is IBMQGOUDNXNXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-4-5-8-18-15(19)11(2)20-14-7-6-12(10-17)9-13(14)16/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide?
2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide has a molecular weight of 298.81 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide is sourced from PubChem (CID 61389141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).