N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine

C18H28BrN — CID 65011425

IUPACN-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCCCC1CC(CNC(C)(C)C)(c2ccccc2Br)C1
InChIInChI=1S/C18H28BrN/c1-5-8-14-11-18(12-14,13-20-17(2,3)4)15-9-6-7-10-16(15)19/h6-7,9-10,14,20H,5,8,11-13H2,1-4H3
InChIKeyQMKDLIGFBRQXRE-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.29
Rot. Bonds5

About N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 65011425) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID65011425
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCCCC1CC(CNC(C)(C)C)(c2ccccc2Br)C1
InChIInChI=1S/C18H28BrN/c1-5-8-14-11-18(12-14,13-20-17(2,3)4)15-9-6-7-10-16(15)19/h6-7,9-10,14,20H,5,8,11-13H2,1-4H3
InChIKeyQMKDLIGFBRQXRE-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-Bromomethamphetamine
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2-(2-Bromophenyl)-2-methylpropan-1-amine
CID 10489504
2-[(2-Bromophenyl)methyl]pyrrolidine
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4-(2-Bromophenyl)piperidine hydrochloride
CID 21936976
3-(2-Bromophenyl)cyclobutan-1-amine
CID 43632394
3-(2-Bromophenyl)pyrrolidine hydrochloride
CID 91654979
N-[2-(2-bromophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 76332326
N-[(2-Bromophenyl)methyl]-2-methylpropan-2-amine
CID 11276546
4-(2-Bromophenyl)piperidine
CID 20364559
(1-(2-Bromophenyl)ethyl)(propyl)amine
CID 24697148
((2-Bromophenyl)methyl)(2-methylbutan-2-yl)amine
CID 28424984

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine (CID 65011425) is N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine is CCCC1CC(CNC(C)(C)C)(c2ccccc2Br)C1.
What is the InChIKey of N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QMKDLIGFBRQXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-5-8-14-11-18(12-14,13-20-17(2,3)4)15-9-6-7-10-16(15)19/h6-7,9-10,14,20H,5,8,11-13H2,1-4H3.
What are the key properties of N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 338.33 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65011425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).