2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid

C14H18BrNO2 — CID 63072969

IUPAC2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cccc(Br)c1)C1CCCC1C(=O)O
InChIInChI=1S/C14H18BrNO2/c1-16(9-10-4-2-5-11(15)8-10)13-7-3-6-12(13)14(17)18/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,18)
InChIKeyNUSXTCLMVNERSY-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.13
Rot. Bonds4

About 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid

2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid (PubChem CID 63072969) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid
PubChem CID63072969
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cccc(Br)c1)C1CCCC1C(=O)O
InChIInChI=1S/C14H18BrNO2/c1-16(9-10-4-2-5-11(15)8-10)13-7-3-6-12(13)14(17)18/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,18)
InChIKeyNUSXTCLMVNERSY-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]cycloheptane-1-carboxylic acid
CID 63069357
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487
2-[methyl-[(4-methylphenyl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63067382
4-[(3-bromophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784849
1-[(3-bromophenyl)methyl-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377108
4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
CID 63702636
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978190
2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one
CID 62035173
(3-bromophenyl)methyl-tert-butylcarbamic acid
CID 66590853
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid (CID 63072969) is 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid is CN(Cc1cccc(Br)c1)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is NUSXTCLMVNERSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-16(9-10-4-2-5-11(15)8-10)13-7-3-6-12(13)14(17)18/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid?
2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 312.21 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63072969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).