3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine

C18H26BrN — CID 81384574

IUPAC3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccc(Br)cc2)C1)C1CCCCC1
InChIInChI=1S/C18H26BrN/c1-13(14-5-3-2-4-6-14)20-18-11-16(12-18)15-7-9-17(19)10-8-15/h7-10,13-14,16,18,20H,2-6,11-12H2,1H3/t13-,16?,18?/m1/s1
InChIKeyORRNKGXFICJHBJ-IMUUDWKMSA-N
MW336.32 g/mol
LogP5.25
Rot. Bonds4

About 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine (PubChem CID 81384574) has the molecular formula C18H26BrN and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine
PubChem CID81384574
Molecular FormulaC18H26BrN
Molecular Weight336.32 g/mol
Exact Mass335.12
IUPAC Name3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccc(Br)cc2)C1)C1CCCCC1
InChIInChI=1S/C18H26BrN/c1-13(14-5-3-2-4-6-14)20-18-11-16(12-18)15-7-9-17(19)10-8-15/h7-10,13-14,16,18,20H,2-6,11-12H2,1H3/t13-,16?,18?/m1/s1
InChIKeyORRNKGXFICJHBJ-IMUUDWKMSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.32
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-N-[(1R)-1-cycloheptylethyl]cyclobutan-1-amine
CID 81390863
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 81395845
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
CID 104530462
N-(1-cyclopropylethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635495
3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine
CID 81356335
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
CID 43779146
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
3-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 81349096
3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 107167855
N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 63453740
N-(1-cyclohexylethyl)-3-methylcyclobutan-1-amine
CID 115677489

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine (CID 81384574) is 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine is C[C@@H](NC1CC(c2ccc(Br)cc2)C1)C1CCCCC1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine?
The InChIKey is ORRNKGXFICJHBJ-IMUUDWKMSA-N. The full InChI is InChI=1S/C18H26BrN/c1-13(14-5-3-2-4-6-14)20-18-11-16(12-18)15-7-9-17(19)10-8-15/h7-10,13-14,16,18,20H,2-6,11-12H2,1H3/t13-,16?,18?/m1/s1.
What are the key properties of 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine has a molecular weight of 336.32 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine is sourced from PubChem (CID 81384574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).