N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine

C12H17BrN2 — CID 107582028

IUPACN-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine
SMILESCc1cc(Br)cc(NC2CCN(C)C2)c1
InChIInChI=1S/C12H17BrN2/c1-9-5-10(13)7-12(6-9)14-11-3-4-15(2)8-11/h5-7,11,14H,3-4,8H2,1-2H3
InChIKeyADLFEAKSMXHHNM-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.87
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine

N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine (PubChem CID 107582028) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine
PubChem CID107582028
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine
SMILESCc1cc(Br)cc(NC2CCN(C)C2)c1
InChIInChI=1S/C12H17BrN2/c1-9-5-10(13)7-12(6-9)14-11-3-4-15(2)8-11/h5-7,11,14H,3-4,8H2,1-2H3
InChIKeyADLFEAKSMXHHNM-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
CID 62976883
N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 63333499
3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 104852532
N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104938392
N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104938423
N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 107582294
N-(3-bromo-5-methylphenyl)-1,1-dioxothiolan-3-amine
CID 104939316
N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 103818356
4-bromo-2-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
CID 65343279
3-amino-5-[(1-methylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 54949572
3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline
CID 107582419
3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine
CID 114502993

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine (CID 107582028) is N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine is Cc1cc(Br)cc(NC2CCN(C)C2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is ADLFEAKSMXHHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9-5-10(13)7-12(6-9)14-11-3-4-15(2)8-11/h5-7,11,14H,3-4,8H2,1-2H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine?
N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 269.19 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 107582028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).