4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid

C18H24BrNO2 — CID 122030570

IUPAC4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2(c3cccc(Br)c3)CCC2)CC1
InChIInChI=1S/C18H24BrNO2/c19-15-4-1-3-14(11-15)18(9-2-10-18)12-20-16-7-5-13(6-8-16)17(21)22/h1,3-4,11,13,16,20H,2,5-10,12H2,(H,21,22)
InChIKeyVZAMZQZYIAEEBL-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.10
Rot. Bonds5

About 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid

4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122030570) has the molecular formula C18H24BrNO2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
PubChem CID122030570
Molecular FormulaC18H24BrNO2
Molecular Weight366.30 g/mol
Exact Mass365.10
IUPAC Name4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2(c3cccc(Br)c3)CCC2)CC1
InChIInChI=1S/C18H24BrNO2/c19-15-4-1-3-14(11-15)18(9-2-10-18)12-20-16-7-5-13(6-8-16)17(21)22/h1,3-4,11,13,16,20H,2,5-10,12H2,(H,21,22)
InChIKeyVZAMZQZYIAEEBL-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595905
4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030564
4-[[1-(3-methylphenyl)cyclohexyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030435
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030094
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 119301112
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid (CID 122030570) is 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCC2(c3cccc(Br)c3)CCC2)CC1.
What is the InChIKey of 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is VZAMZQZYIAEEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO2/c19-15-4-1-3-14(11-15)18(9-2-10-18)12-20-16-7-5-13(6-8-16)17(21)22/h1,3-4,11,13,16,20H,2,5-10,12H2,(H,21,22).
What are the key properties of 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid?
4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 366.30 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122030570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).