1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine

C15H23BrN2 — CID 54975744

IUPAC1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(Br)cc2C)C(C)C1
InChIInChI=1S/C15H23BrN2/c1-4-17-14-7-8-18(12(3)10-14)15-6-5-13(16)9-11(15)2/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3
InChIKeyCZEKLHHTSFJEGZ-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine

1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine (PubChem CID 54975744) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine
PubChem CID54975744
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(Br)cc2C)C(C)C1
InChIInChI=1S/C15H23BrN2/c1-4-17-14-7-8-18(12(3)10-14)15-6-5-13(16)9-11(15)2/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3
InChIKeyCZEKLHHTSFJEGZ-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine
CID 54975580
N-ethyl-2-methyl-1-(4-methyl-3-pyridinyl)piperidin-4-amine
CID 55202268
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-methylpiperidin-4-amine
CID 54975831
N-ethyl-2-methyl-1-(3-methylphenyl)piperidin-4-amine
CID 54975435
1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine
CID 82757596
1-(4-bromo-2-methylphenyl)-7-methyl-1,4-diazepane
CID 82307445
1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine
CID 81288727
1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine
CID 83088384
1-[4-(bromomethyl)-2-methylphenyl]-2,4-dimethylpiperidine
CID 107082784
8-(4-bromo-2-chlorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740346
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpiperidin-4-amine
CID 54975441
N-[[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63551604

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine (CID 54975744) is 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine is CCNC1CCN(c2ccc(Br)cc2C)C(C)C1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine?
The InChIKey is CZEKLHHTSFJEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-4-17-14-7-8-18(12(3)10-14)15-6-5-13(16)9-11(15)2/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine?
1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine has a molecular weight of 311.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 54975744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).