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

C16H19BrN2 — CID 115146662

IUPAC5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine
SMILESCCC(C)c1ccc(CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C16H19BrN2/c1-3-12(2)14-6-4-13(5-7-14)10-18-16-9-8-15(17)11-19-16/h4-9,11-12H,3,10H2,1-2H3,(H,18,19)
InChIKeyMCKOXANTDRHHPZ-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.97
Rot. Bonds5

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

5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine (PubChem CID 115146662) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine
PubChem CID115146662
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine
SMILESCCC(C)c1ccc(CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C16H19BrN2/c1-3-12(2)14-6-4-13(5-7-14)10-18-16-9-8-15(17)11-19-16/h4-9,11-12H,3,10H2,1-2H3,(H,18,19)
InChIKeyMCKOXANTDRHHPZ-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine
CID 115148250
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114
5-bromo-N-(naphthalen-2-ylmethyl)pyridin-2-amine
CID 115146732
5-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64597766
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105
5-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 61463582
5-bromo-N-(2-ethoxypropyl)pyridin-2-amine
CID 115658186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine (CID 115146662) is 5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine is CCC(C)c1ccc(CNc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine?
The InChIKey is MCKOXANTDRHHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-12(2)14-6-4-13(5-7-14)10-18-16-9-8-15(17)11-19-16/h4-9,11-12H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine?
5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine has a molecular weight of 319.25 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 115146662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).