4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline

C15H17BrN2 — CID 81292604

IUPAC4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline
SMILESCCc1cc(Br)ccc1NC(C)c1cccnc1
InChIInChI=1S/C15H17BrN2/c1-3-12-9-14(16)6-7-15(12)18-11(2)13-5-4-8-17-10-13/h4-11,18H,3H2,1-2H3
InChIKeyZOSFBXMBTQXQIB-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.58
Rot. Bonds4

About 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline

4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline (PubChem CID 81292604) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline
PubChem CID81292604
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline
SMILESCCc1cc(Br)ccc1NC(C)c1cccnc1
InChIInChI=1S/C15H17BrN2/c1-3-12-9-14(16)6-7-15(12)18-11(2)13-5-4-8-17-10-13/h4-11,18H,3H2,1-2H3
InChIKeyZOSFBXMBTQXQIB-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-ethylaniline
CID 81287491
4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 81291827
4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
CID 81292571
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78950918
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 43523794
2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43677982
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
3-(4-bromo-2-ethylanilino)butan-2-ol
CID 81292425
4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline
CID 81291618
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 62514651

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline (CID 81292604) is 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline is CCc1cc(Br)ccc1NC(C)c1cccnc1.
What is the InChIKey of 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is ZOSFBXMBTQXQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-3-12-9-14(16)6-7-15(12)18-11(2)13-5-4-8-17-10-13/h4-11,18H,3H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline?
4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline has a molecular weight of 305.22 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 81292604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).