3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine

C18H20BrNO — CID 43633182

IUPAC3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(CNC2CC(c3ccccc3Br)C2)cc1
InChIInChI=1S/C18H20BrNO/c1-21-16-8-6-13(7-9-16)12-20-15-10-14(11-15)17-4-2-3-5-18(17)19/h2-9,14-15,20H,10-12H2,1H3
InChIKeyQPEQEDBANCUGFR-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.49
Rot. Bonds5

About 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine

3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 43633182) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID43633182
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(CNC2CC(c3ccccc3Br)C2)cc1
InChIInChI=1S/C18H20BrNO/c1-21-16-8-6-13(7-9-16)12-20-15-10-14(11-15)17-4-2-3-5-18(17)19/h2-9,14-15,20H,10-12H2,1H3
InChIKeyQPEQEDBANCUGFR-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634508
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60779337
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43633599
3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 63478374
3-(2-bromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclobutan-1-amine
CID 106392117
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882732
(2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine
CID 125432814

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine (CID 43633182) is 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine is COc1ccc(CNC2CC(c3ccccc3Br)C2)cc1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is QPEQEDBANCUGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-21-16-8-6-13(7-9-16)12-20-15-10-14(11-15)17-4-2-3-5-18(17)19/h2-9,14-15,20H,10-12H2,1H3.
What are the key properties of 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine?
3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 346.27 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 43633182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).