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

C18H20BrNO — CID 60779337

IUPACN-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCc2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrNO/c1-21-18-5-3-2-4-17(18)14-10-16(11-14)20-12-13-6-8-15(19)9-7-13/h2-9,14,16,20H,10-12H2,1H3
InChIKeyVZJHTAZXSFWEGL-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.49
Rot. Bonds5

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

N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine (PubChem CID 60779337) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
PubChem CID60779337
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCc2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrNO/c1-21-18-5-3-2-4-17(18)14-10-16(11-14)20-12-13-6-8-15(19)9-7-13/h2-9,14,16,20H,10-12H2,1H3
InChIKeyVZJHTAZXSFWEGL-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine (CID 60779337) is N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine is COc1ccccc1C1CC(NCc2ccc(Br)cc2)C1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is VZJHTAZXSFWEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-21-18-5-3-2-4-17(18)14-10-16(11-14)20-12-13-6-8-15(19)9-7-13/h2-9,14,16,20H,10-12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine?
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)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 N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 60779337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).