(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate

C14H18BrNO2 — CID 82824672

IUPAC(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)OCc2ccccc2Br)CCCC1N
InChIInChI=1S/C14H18BrNO2/c1-14(8-4-7-12(14)16)13(17)18-9-10-5-2-3-6-11(10)15/h2-3,5-6,12H,4,7-9,16H2,1H3
InChIKeyALBNHRNYIRFPHC-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.01
Rot. Bonds3

About (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate

(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate (PubChem CID 82824672) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
PubChem CID82824672
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)OCc2ccccc2Br)CCCC1N
InChIInChI=1S/C14H18BrNO2/c1-14(8-4-7-12(14)16)13(17)18-9-10-5-2-3-6-11(10)15/h2-3,5-6,12H,4,7-9,16H2,1H3
InChIKeyALBNHRNYIRFPHC-UHFFFAOYSA-N
XLogP3.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824967
(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762798
(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216143
(2-bromophenyl)methyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 82823967
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
(2-bromophenyl)methyl 4-aminocyclohexane-1-carboxylate
CID 82824678
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
benzyl 2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 131741828
2-amino-1-methyl-N-(2-propylphenyl)cyclopentane-1-carboxamide
CID 82764407
(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
CID 82824680
(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate
CID 82824789
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116607388

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The IUPAC name of (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate (CID 82824672) is (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate is CC1(C(=O)OCc2ccccc2Br)CCCC1N.
What is the InChIKey of (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The InChIKey is ALBNHRNYIRFPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(8-4-7-12(14)16)13(17)18-9-10-5-2-3-6-11(10)15/h2-3,5-6,12H,4,7-9,16H2,1H3.
What are the key properties of (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate has a molecular weight of 312.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 82824672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).