N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine

C15H21BrN2O — CID 115904126

IUPACN-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCOc1ccc(Br)cc1NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C15H21BrN2O/c1-10-7-12(9-18(10)13-4-5-13)17-14-8-11(16)3-6-15(14)19-2/h3,6,8,10,12-13,17H,4-5,7,9H2,1-2H3
InChIKeyNRENDRUSNVTHTP-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.49
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine

N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine (PubChem CID 115904126) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
PubChem CID115904126
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCOc1ccc(Br)cc1NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C15H21BrN2O/c1-10-7-12(9-18(10)13-4-5-13)17-14-8-11(16)3-6-15(14)19-2/h3,6,8,10,12-13,17H,4-5,7,9H2,1-2H3
InChIKeyNRENDRUSNVTHTP-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 97335336
5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
CID 64744839
N-(5-bromo-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79949843
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703
(3R,5S)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97320294
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
CID 107466821
N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
CID 65073536
N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685137
N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 65083314
N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466120
1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine
CID 113491642

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine (CID 115904126) is N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine is COc1ccc(Br)cc1NC1CC(C)N(C2CC2)C1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The InChIKey is NRENDRUSNVTHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-7-12(9-18(10)13-4-5-13)17-14-8-11(16)3-6-15(14)19-2/h3,6,8,10,12-13,17H,4-5,7,9H2,1-2H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine?
N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine has a molecular weight of 325.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115904126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).