4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid

C15H20BrNO2 — CID 65054573

IUPAC4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC1CCC(C(=O)O)CC1)c1ccccc1Br
InChIInChI=1S/C15H20BrNO2/c1-10(13-4-2-3-5-14(13)16)17-12-8-6-11(7-9-12)15(18)19/h2-5,10-12,17H,6-9H2,1H3,(H,18,19)
InChIKeyYQQNKCSPIIJKAG-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.74
Rot. Bonds4

About 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid

4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 65054573) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID65054573
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC1CCC(C(=O)O)CC1)c1ccccc1Br
InChIInChI=1S/C15H20BrNO2/c1-10(13-4-2-3-5-14(13)16)17-12-8-6-11(7-9-12)15(18)19/h2-5,10-12,17H,6-9H2,1H3,(H,18,19)
InChIKeyYQQNKCSPIIJKAG-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
tert-butyl 4-[[(1S)-1-(2-bromophenyl)ethyl]amino]azepane-1-carboxylate
CID 113361622
4-[amino-(2-bromophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938824
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid (CID 65054573) is 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid is CC(NC1CCC(C(=O)O)CC1)c1ccccc1Br.
What is the InChIKey of 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is YQQNKCSPIIJKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10(13-4-2-3-5-14(13)16)17-12-8-6-11(7-9-12)15(18)19/h2-5,10-12,17H,6-9H2,1H3,(H,18,19).
What are the key properties of 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid?
4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 326.23 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65054573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).