4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride

C15H22BrClN2O2 — CID 120922301

IUPAC4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCc2ccc(Br)cc2)CCOCC1
InChIInChI=1S/C15H21BrN2O2.ClH/c16-13-3-1-12(2-4-13)5-8-18-14(19)15(11-17)6-9-20-10-7-15;/h1-4H,5-11,17H2,(H,18,19);1H
InChIKeyJVBNUZGIMNIKSI-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.29
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120922301) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
PubChem CID120922301
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCc2ccc(Br)cc2)CCOCC1
InChIInChI=1S/C15H21BrN2O2.ClH/c16-13-3-1-12(2-4-13)5-8-18-14(19)15(11-17)6-9-20-10-7-15;/h1-4H,5-11,17H2,(H,18,19);1H
InChIKeyJVBNUZGIMNIKSI-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[3-(4-bromoanilino)-3-oxopropyl]oxane-4-carboxamide;hydrochloride
CID 120926410
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120920693
4-(aminomethyl)-N-[3-(4-bromoanilino)-3-oxopropyl]oxane-4-carboxamide
CID 120926411
4-(aminomethyl)-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]oxane-4-carboxamide;hydrochloride
CID 120931729
4-(aminomethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]oxane-4-carboxamide
CID 120929098
4-(aminomethyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120925955
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120917677
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119281754
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120930723
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
CID 120921537
4-(aminomethyl)-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]oxane-4-carboxamide
CID 120934422

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride (CID 120922301) is 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NCCc2ccc(Br)cc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is JVBNUZGIMNIKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c16-13-3-1-12(2-4-13)5-8-18-14(19)15(11-17)6-9-20-10-7-15;/h1-4H,5-11,17H2,(H,18,19);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120922301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).