5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine

C17H21BrN2 — CID 115146878

IUPAC5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
SMILESCC(C)c1ccc(CCN(C)c2ccc(Br)cn2)cc1
InChIInChI=1S/C17H21BrN2/c1-13(2)15-6-4-14(5-7-15)10-11-20(3)17-9-8-16(18)12-19-17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyCSWHPVQGNWMGDJ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.65
Rot. Bonds5

About 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine

5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine (PubChem CID 115146878) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
PubChem CID115146878
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
SMILESCC(C)c1ccc(CCN(C)c2ccc(Br)cn2)cc1
InChIInChI=1S/C17H21BrN2/c1-13(2)15-6-4-14(5-7-15)10-11-20(3)17-9-8-16(18)12-19-17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyCSWHPVQGNWMGDJ-UHFFFAOYSA-N
XLogP4.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 115146882
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine
CID 133292178
5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 115146924
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
CID 115146592
5-bromo-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63463815
5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 61373581
5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
CID 115146736
5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine
CID 80674574
5-bromo-N-[[4-(1-fluoroethyl)phenyl]methyl]-N-(trifluoromethyl)pyridin-2-amine
CID 162539101

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine (CID 115146878) is 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine is CC(C)c1ccc(CCN(C)c2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine?
The InChIKey is CSWHPVQGNWMGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-13(2)15-6-4-14(5-7-15)10-11-20(3)17-9-8-16(18)12-19-17/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine?
5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine has a molecular weight of 333.27 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115146878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).