N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine

C17H27BrN2 — CID 80997617

IUPACN-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine
SMILESCN(Cc1ccccc1Br)C1CCC1CNC(C)(C)C
InChIInChI=1S/C17H27BrN2/c1-17(2,3)19-11-13-9-10-16(13)20(4)12-14-7-5-6-8-15(14)18/h5-8,13,16,19H,9-12H2,1-4H3
InChIKeyVDRCTHBWHNQBGQ-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.05
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine

N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine (PubChem CID 80997617) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine
PubChem CID80997617
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine
SMILESCN(Cc1ccccc1Br)C1CCC1CNC(C)(C)C
InChIInChI=1S/C17H27BrN2/c1-17(2,3)19-11-13-9-10-16(13)20(4)12-14-7-5-6-8-15(14)18/h5-8,13,16,19H,9-12H2,1-4H3
InChIKeyVDRCTHBWHNQBGQ-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
CID 80996883
N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81032970
2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
CID 80998310
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999243
N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80998660
N-[(2-bromophenyl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970749
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
N-[(2-bromophenyl)methyl]-N-methylazetidin-3-amine
CID 62784251
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine
CID 90670860
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027285

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine (CID 80997617) is N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine is CN(Cc1ccccc1Br)C1CCC1CNC(C)(C)C.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine?
The InChIKey is VDRCTHBWHNQBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-17(2,3)19-11-13-9-10-16(13)20(4)12-14-7-5-6-8-15(14)18/h5-8,13,16,19H,9-12H2,1-4H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine?
N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine is sourced from PubChem (CID 80997617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).