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

C15H21BrN2O2 — CID 64823580

IUPAC2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1CCCC1N
InChIInChI=1S/C15H21BrN2O2/c1-18(15(19)13-3-2-4-14(13)17)9-10-20-12-7-5-11(16)6-8-12/h5-8,13-14H,2-4,9-10,17H2,1H3
InChIKeyPKFFXRWGYWQBCJ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.41
Rot. Bonds5

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

2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 64823580) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID64823580
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1CCCC1N
InChIInChI=1S/C15H21BrN2O2/c1-18(15(19)13-3-2-4-14(13)17)9-10-20-12-7-5-11(16)6-8-12/h5-8,13-14H,2-4,9-10,17H2,1H3
InChIKeyPKFFXRWGYWQBCJ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide
CID 99849846
2-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 64824766
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983601
2-[2-(4-bromophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952814
4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210396
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682796
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 124510929

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (CID 64823580) is 2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is CN(CCOc1ccc(Br)cc1)C(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is PKFFXRWGYWQBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-18(15(19)13-3-2-4-14(13)17)9-10-20-12-7-5-11(16)6-8-12/h5-8,13-14H,2-4,9-10,17H2,1H3.
What are the key properties of 2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 64823580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).