2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline

C17H27BrN2 — CID 82761319

IUPAC2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2cc(C)ccc2Br)CC1
InChIInChI=1S/C17H27BrN2/c1-4-9-20-10-7-15(8-11-20)14(3)19-17-12-13(2)5-6-16(17)18/h5-6,12,14-15,19H,4,7-11H2,1-3H3
InChIKeyHGMSVDLXXYKEPO-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.68
Rot. Bonds5

About 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline

2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (PubChem CID 82761319) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
PubChem CID82761319
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2cc(C)ccc2Br)CC1
InChIInChI=1S/C17H27BrN2/c1-4-9-20-10-7-15(8-11-20)14(3)19-17-12-13(2)5-6-16(17)18/h5-6,12,14-15,19H,4,7-11H2,1-3H3
InChIKeyHGMSVDLXXYKEPO-UHFFFAOYSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43729427
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43308115
5-bromo-2-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 82693504
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 62865937
4-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 63329411
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
4-methyl-3-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 62105765
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-fluoro-4-methylaniline
CID 43308622
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (CID 82761319) is 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is CCCN1CCC(C(C)Nc2cc(C)ccc2Br)CC1.
What is the InChIKey of 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The InChIKey is HGMSVDLXXYKEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-9-20-10-7-15(8-11-20)14(3)19-17-12-13(2)5-6-16(17)18/h5-6,12,14-15,19H,4,7-11H2,1-3H3.
What are the key properties of 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline has a molecular weight of 339.32 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 82761319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).