N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine

C15H23BrN2O — CID 115146036

IUPACN-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(CCNC2CNC(C)(C)C2)cc1Br
InChIInChI=1S/C15H23BrN2O/c1-15(2)9-12(10-18-15)17-7-6-11-4-5-14(19-3)13(16)8-11/h4-5,8,12,17-18H,6-7,9-10H2,1-3H3
InChIKeyAZISFMQZTGBSNQ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine

N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine (PubChem CID 115146036) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine
PubChem CID115146036
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(CCNC2CNC(C)(C)C2)cc1Br
InChIInChI=1S/C15H23BrN2O/c1-15(2)9-12(10-18-15)17-7-6-11-4-5-14(19-3)13(16)8-11/h4-5,8,12,17-18H,6-7,9-10H2,1-3H3
InChIKeyAZISFMQZTGBSNQ-UHFFFAOYSA-N
XLogP2.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441
N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
CID 115145867
2-(3-bromo-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208373
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
3-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 79452527
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
1-[[2-(3-bromo-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242478
N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 115145678
2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 84708784
1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 64848478
2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133534
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine (CID 115146036) is N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine is COc1ccc(CCNC2CNC(C)(C)C2)cc1Br.
What is the InChIKey of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is AZISFMQZTGBSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-15(2)9-12(10-18-15)17-7-6-11-4-5-14(19-3)13(16)8-11/h4-5,8,12,17-18H,6-7,9-10H2,1-3H3.
What are the key properties of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine?
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 327.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115146036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).