N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine

C14H21BrN2 — CID 82761403

IUPACN-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCc1ccc(Br)c(NC2CCN(C(C)C)C2)c1
InChIInChI=1S/C14H21BrN2/c1-10(2)17-7-6-12(9-17)16-14-8-11(3)4-5-13(14)15/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyBQJAHNZLJLAHPC-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.65
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine

N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 82761403) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID82761403
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCc1ccc(Br)c(NC2CCN(C(C)C)C2)c1
InChIInChI=1S/C14H21BrN2/c1-10(2)17-7-6-12(9-17)16-14-8-11(3)4-5-13(14)15/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyBQJAHNZLJLAHPC-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine
CID 114258870
N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 81291729
N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 104726429
4-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile
CID 62104291
N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 115556593
N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072841
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
N-(2-bromo-5-methylphenyl)thiolan-3-amine
CID 75525411
N-(2-bromo-5-methylphenyl)oxolan-3-amine
CID 82761747
N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 104722837
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine (CID 82761403) is N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine is Cc1ccc(Br)c(NC2CCN(C(C)C)C2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is BQJAHNZLJLAHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10(2)17-7-6-12(9-17)16-14-8-11(3)4-5-13(14)15/h4-5,8,10,12,16H,6-7,9H2,1-3H3.
What are the key properties of N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 82761403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).