1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide

C15H21BrN2O2 — CID 60937922

IUPAC1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1(N)CCCC1
InChIInChI=1S/C15H21BrN2O2/c1-18(14(19)15(17)8-2-3-9-15)10-11-20-13-6-4-12(16)5-7-13/h4-7H,2-3,8-11,17H2,1H3
InChIKeyBVLDBPFUNYACFE-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.56
Rot. Bonds5

About 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide

1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 60937922) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID60937922
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1(N)CCCC1
InChIInChI=1S/C15H21BrN2O2/c1-18(14(19)15(17)8-2-3-9-15)10-11-20-13-6-4-12(16)5-7-13/h4-7H,2-3,8-11,17H2,1H3
InChIKeyBVLDBPFUNYACFE-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide
CID 63122202
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119274527
1-amino-N-[3-(4-chlorophenoxy)propyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119739903
1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119689145
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 64823580
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (CID 60937922) is 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is CN(CCOc1ccc(Br)cc1)C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is BVLDBPFUNYACFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-18(14(19)15(17)8-2-3-9-15)10-11-20-13-6-4-12(16)5-7-13/h4-7H,2-3,8-11,17H2,1H3.
What are the key properties of 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 60937922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).