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

C19H30BrN — CID 65014923

IUPACN-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccc(Br)cc2)CC(C(C)(C)C)C1
InChIInChI=1S/C19H30BrN/c1-14(2)12-21-13-19(10-16(11-19)18(3,4)5)15-6-8-17(20)9-7-15/h6-9,14,16,21H,10-13H2,1-5H3
InChIKeyZTVKTOAXKSEZCY-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.39
Rot. Bonds5

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

N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 65014923) 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-1-amine.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID65014923
Molecular FormulaC19H30BrN
Molecular Weight352.36 g/mol
Exact Mass351.16
IUPAC NameN-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccc(Br)cc2)CC(C(C)(C)C)C1
InChIInChI=1S/C19H30BrN/c1-14(2)12-21-13-19(10-16(11-19)18(3,4)5)15-6-8-17(20)9-7-15/h6-9,14,16,21H,10-13H2,1-5H3
InChIKeyZTVKTOAXKSEZCY-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 65014922
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014971
N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine
CID 65014238
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
CID 65014519
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine
CID 65014569
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997816
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928
4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83150672
[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 65016920

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine (CID 65014923) is N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(c2ccc(Br)cc2)CC(C(C)(C)C)C1.
What is the InChIKey of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZTVKTOAXKSEZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN/c1-14(2)12-21-13-19(10-16(11-19)18(3,4)5)15-6-8-17(20)9-7-15/h6-9,14,16,21H,10-13H2,1-5H3.
What are the key properties of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 352.36 g/mol, XLogP of 5.39, 5 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-1-amine is sourced from PubChem (CID 65014923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).