N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine

C19H30BrN — CID 65014922

IUPACN-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(Br)cc2)CC(C(C)(C)C)C1
InChIInChI=1S/C19H30BrN/c1-17(2,3)15-11-19(12-15,13-21-18(4,5)6)14-7-9-16(20)10-8-14/h7-10,15,21H,11-13H2,1-6H3
InChIKeyDSBQONAUUVTLLF-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.53
Rot. Bonds3

About N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 65014922) has the molecular formula C19H30BrN and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID65014922
Molecular FormulaC19H30BrN
Molecular Weight352.36 g/mol
Exact Mass351.16
IUPAC NameN-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(Br)cc2)CC(C(C)(C)C)C1
InChIInChI=1S/C19H30BrN/c1-17(2,3)15-11-19(12-15,13-21-18(4,5)6)14-7-9-16(20)10-8-14/h7-10,15,21H,11-13H2,1-6H3
InChIKeyDSBQONAUUVTLLF-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine (CID 65014922) is N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2ccc(Br)cc2)CC(C(C)(C)C)C1.
What is the InChIKey of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DSBQONAUUVTLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN/c1-17(2,3)15-11-19(12-15,13-21-18(4,5)6)14-7-9-16(20)10-8-14/h7-10,15,21H,11-13H2,1-6H3.
What are the key properties of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 352.36 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65014922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).