N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

C17H27BrN2 — CID 102768697

IUPACN-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCCN1Cc1ccc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C17H27BrN2/c1-13-6-5-9-20(13)12-15-8-7-14(10-16(15)18)11-19-17(2,3)4/h7-8,10,13,19H,5-6,9,11-12H2,1-4H3
InChIKeyQONQBLPJRHCGPN-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.32
Rot. Bonds4

About N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 102768697) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID102768697
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCCN1Cc1ccc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C17H27BrN2/c1-13-6-5-9-20(13)12-15-8-7-14(10-16(15)18)11-19-17(2,3)4/h7-8,10,13,19H,5-6,9,11-12H2,1-4H3
InChIKeyQONQBLPJRHCGPN-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768682
2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105346400
(2R)-1-[(2-bromo-4,5-difluorophenyl)methyl]-2-methylpyrrolidine
CID 124562663
N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102772120
N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine
CID 102769560
N-[[3-bromo-4-[(3-methylthiomorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 102771218
N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102769477
N-[[3-bromo-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 102768872
N-[[3-bromo-4-[(4-methylazepan-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 102771076
2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 107740241
(2R)-1-[(2-bromo-4-nitrophenyl)methyl]-2-methylpiperidine
CID 95910894
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62439339

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 102768697) is N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is CC1CCCN1Cc1ccc(CNC(C)(C)C)cc1Br.
What is the InChIKey of N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QONQBLPJRHCGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-13-6-5-9-20(13)12-15-8-7-14(10-16(15)18)11-19-17(2,3)4/h7-8,10,13,19H,5-6,9,11-12H2,1-4H3.
What are the key properties of N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 339.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102768697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).