[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine

C15H22BrN — CID 65017119

IUPAC[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine
SMILESCC(C)(C)C1CC(CN)(c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN/c1-14(2,3)12-8-15(9-12,10-17)11-5-4-6-13(16)7-11/h4-7,12H,8-10,17H2,1-3H3
InChIKeyDKFPBWKMVIULCQ-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.10
Rot. Bonds2

About [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine

[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine (PubChem CID 65017119) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine
PubChem CID65017119
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine
SMILESCC(C)(C)C1CC(CN)(c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN/c1-14(2,3)12-8-15(9-12,10-17)11-5-4-6-13(16)7-11/h4-7,12H,8-10,17H2,1-3H3
InChIKeyDKFPBWKMVIULCQ-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine?
The IUPAC name of [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine (CID 65017119) is [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine is CC(C)(C)C1CC(CN)(c2cccc(Br)c2)C1.
What is the InChIKey of [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine?
The InChIKey is DKFPBWKMVIULCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-14(2,3)12-8-15(9-12,10-17)11-5-4-6-13(16)7-11/h4-7,12H,8-10,17H2,1-3H3.
What are the key properties of [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine?
[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine has a molecular weight of 296.25 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine is sourced from PubChem (CID 65017119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).