N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine

C12H17BrN2 — CID 63333499

IUPACN-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
SMILESCc1ccc(NC2CCN(C)C2)cc1Br
InChIInChI=1S/C12H17BrN2/c1-9-3-4-10(7-12(9)13)14-11-5-6-15(2)8-11/h3-4,7,11,14H,5-6,8H2,1-2H3
InChIKeyKYXFEUUTYRPPCZ-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.87
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine

N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine (PubChem CID 63333499) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
PubChem CID63333499
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
SMILESCc1ccc(NC2CCN(C)C2)cc1Br
InChIInChI=1S/C12H17BrN2/c1-9-3-4-10(7-12(9)13)14-11-5-6-15(2)8-11/h3-4,7,11,14H,5-6,8H2,1-2H3
InChIKeyKYXFEUUTYRPPCZ-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-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine
CID 107582028
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
CID 63462471
4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine
CID 62911293
N-(3-bromo-4-methylphenyl)thian-4-amine
CID 63333541
N-(3-bromo-4-methylphenyl)thiolan-3-amine
CID 63333574
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80706050
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
ethyl 2-amino-5-[(1-methylpyrrolidin-3-yl)amino]benzoate
CID 61465111
1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine
CID 62912816
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43680385

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine (CID 63333499) is N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine is Cc1ccc(NC2CCN(C)C2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is KYXFEUUTYRPPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9-3-4-10(7-12(9)13)14-11-5-6-15(2)8-11/h3-4,7,11,14H,5-6,8H2,1-2H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine?
N-(3-bromo-4-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-4-methylphenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 63333499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).