1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

C16H25BrN2 — CID 79397874

IUPAC1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(C)cc2Br)C(C)C1C
InChIInChI=1S/C16H25BrN2/c1-5-18-15-8-9-19(13(4)12(15)3)16-7-6-11(2)10-14(16)17/h6-7,10,12-13,15,18H,5,8-9H2,1-4H3
InChIKeyZFAZJSJVBUADBW-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (PubChem CID 79397874) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
PubChem CID79397874
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(C)cc2Br)C(C)C1C
InChIInChI=1S/C16H25BrN2/c1-5-18-15-8-9-19(13(4)12(15)3)16-7-6-11(2)10-14(16)17/h6-7,10,12-13,15,18H,5,8-9H2,1-4H3
InChIKeyZFAZJSJVBUADBW-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396641
N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79397981
1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397443
1-(2,5-dichlorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397871
1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 82868076
1-(2,3-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397318
2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 79397861
1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397433
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396570
1-(2,4-dichlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397728
[1-(2-bromo-4-methylphenyl)-4,5-dimethyl-1,4-diazepan-2-yl]methanamine
CID 84607411
1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396532

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (CID 79397874) is 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is CCNC1CCN(c2ccc(C)cc2Br)C(C)C1C.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The InChIKey is ZFAZJSJVBUADBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-5-18-15-8-9-19(13(4)12(15)3)16-7-6-11(2)10-14(16)17/h6-7,10,12-13,15,18H,5,8-9H2,1-4H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79397874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).