1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine

C16H25BrN2 — CID 116906891

IUPAC1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
SMILESCc1ccc(Br)cc1C(CC1CCNCC1)N(C)C
InChIInChI=1S/C16H25BrN2/c1-12-4-5-14(17)11-15(12)16(19(2)3)10-13-6-8-18-9-7-13/h4-5,11,13,16,18H,6-10H2,1-3H3
InChIKeyOUVKHNZLQHGPKJ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.75
Rot. Bonds4

About 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine

1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine (PubChem CID 116906891) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
PubChem CID116906891
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
SMILESCc1ccc(Br)cc1C(CC1CCNCC1)N(C)C
InChIInChI=1S/C16H25BrN2/c1-12-4-5-14(17)11-15(12)16(19(2)3)10-13-6-8-18-9-7-13/h4-5,11,13,16,18H,6-10H2,1-3H3
InChIKeyOUVKHNZLQHGPKJ-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906876
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
CID 116909703
1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906884
N,N-dimethyl-1-phenyl-2-piperidin-4-ylethanamine
CID 116906872
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
CID 83693932
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine
CID 116925720
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753
2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210044
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine (CID 116906891) is 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine is Cc1ccc(Br)cc1C(CC1CCNCC1)N(C)C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
The InChIKey is OUVKHNZLQHGPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12-4-5-14(17)11-15(12)16(19(2)3)10-13-6-8-18-9-7-13/h4-5,11,13,16,18H,6-10H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine has a molecular weight of 325.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine is sourced from PubChem (CID 116906891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).