N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine

C16H19BrN2 — CID 115606105

IUPACN-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cn1)c1ccc(C)cc1C
InChIInChI=1S/C16H19BrN2/c1-4-18-16(15-8-6-13(17)10-19-15)14-7-5-11(2)9-12(14)3/h5-10,16,18H,4H2,1-3H3
InChIKeyCMUJAMCMICMJBW-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.16
Rot. Bonds4

About N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine

N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine (PubChem CID 115606105) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
PubChem CID115606105
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cn1)c1ccc(C)cc1C
InChIInChI=1S/C16H19BrN2/c1-4-18-16(15-8-6-13(17)10-19-15)14-7-5-11(2)9-12(14)3/h5-10,16,18H,4H2,1-3H3
InChIKeyCMUJAMCMICMJBW-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115606081
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722028
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963
N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881960
N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105115764
N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115606122
N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 106647623
1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 105036122
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43489966
(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
CID 115606170

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine (CID 115606105) is N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(Br)cn1)c1ccc(C)cc1C.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is CMUJAMCMICMJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-4-18-16(15-8-6-13(17)10-19-15)14-7-5-11(2)9-12(14)3/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine?
N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 319.25 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115606105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).