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

C17H27BrN2 — CID 43729427

IUPAC5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2cc(Br)ccc2C)CC1
InChIInChI=1S/C17H27BrN2/c1-4-9-20-10-7-15(8-11-20)14(3)19-17-12-16(18)6-5-13(17)2/h5-6,12,14-15,19H,4,7-11H2,1-3H3
InChIKeyOOTYUYYZOKPSAF-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.68
Rot. Bonds5

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

5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (PubChem CID 43729427) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
PubChem CID43729427
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2cc(Br)ccc2C)CC1
InChIInChI=1S/C17H27BrN2/c1-4-9-20-10-7-15(8-11-20)14(3)19-17-12-16(18)6-5-13(17)2/h5-6,12,14-15,19H,4,7-11H2,1-3H3
InChIKeyOOTYUYYZOKPSAF-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

4-methyl-3-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 62105765
5-bromo-2-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 82693504
2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 82761319
4-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 63329411
4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43308115
4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 62865937
N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
CID 43307958
4-bromo-2-chloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308799
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43677816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (CID 43729427) is 5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is CCCN1CCC(C(C)Nc2cc(Br)ccc2C)CC1.
What is the InChIKey of 5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The InChIKey is OOTYUYYZOKPSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-9-20-10-7-15(8-11-20)14(3)19-17-12-16(18)6-5-13(17)2/h5-6,12,14-15,19H,4,7-11H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
5-bromo-2-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 5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 43729427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).