5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine

C16H19BrN2 — CID 115148671

IUPAC5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
SMILESCc1ccc(CCN(C)c2ncc(Br)cc2C)cc1
InChIInChI=1S/C16H19BrN2/c1-12-4-6-14(7-5-12)8-9-19(3)16-13(2)10-15(17)11-18-16/h4-7,10-11H,8-9H2,1-3H3
InChIKeyMQDYKDQFUZHZSF-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.14
Rot. Bonds4

About 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine

5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine (PubChem CID 115148671) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
PubChem CID115148671
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
SMILESCc1ccc(CCN(C)c2ncc(Br)cc2C)cc1
InChIInChI=1S/C16H19BrN2/c1-12-4-6-14(7-5-12)8-9-19(3)16-13(2)10-15(17)11-18-16/h4-7,10-11H,8-9H2,1-3H3
InChIKeyMQDYKDQFUZHZSF-UHFFFAOYSA-N
XLogP4.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine (CID 115148671) is 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine is Cc1ccc(CCN(C)c2ncc(Br)cc2C)cc1.
What is the InChIKey of 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine?
The InChIKey is MQDYKDQFUZHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12-4-6-14(7-5-12)8-9-19(3)16-13(2)10-15(17)11-18-16/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine?
5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine has a molecular weight of 319.25 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115148671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).