1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine

C17H27BrN2 — CID 63795722

IUPAC1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Br)cc1N1CCC(C)CC1C
InChIInChI=1S/C17H27BrN2/c1-4-16(19)10-14-5-6-15(18)11-17(14)20-8-7-12(2)9-13(20)3/h5-6,11-13,16H,4,7-10,19H2,1-3H3
InChIKeyRSNXIJHVLRGAJO-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.35
Rot. Bonds4

About 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine

1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine (PubChem CID 63795722) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine
PubChem CID63795722
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Br)cc1N1CCC(C)CC1C
InChIInChI=1S/C17H27BrN2/c1-4-16(19)10-14-5-6-15(18)11-17(14)20-8-7-12(2)9-13(20)3/h5-6,11-13,16H,4,7-10,19H2,1-3H3
InChIKeyRSNXIJHVLRGAJO-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63551604
1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine
CID 103503911
1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine
CID 63785603
1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]butan-2-amine
CID 63787411
1-[2-(4-benzylpiperazin-1-yl)-4-bromophenyl]butan-2-amine
CID 113233595
1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236797
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
1-(4-bromo-2-pyrazol-1-ylphenyl)butan-2-amine
CID 63815700
1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63785737
N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114850627
1-[4-bromo-2-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]butan-2-amine
CID 107459852
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-bromophenyl]propan-2-amine
CID 65322122

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine (CID 63795722) is 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine is CCC(N)Cc1ccc(Br)cc1N1CCC(C)CC1C.
What is the InChIKey of 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine?
The InChIKey is RSNXIJHVLRGAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-16(19)10-14-5-6-15(18)11-17(14)20-8-7-12(2)9-13(20)3/h5-6,11-13,16H,4,7-10,19H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine?
1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine has a molecular weight of 339.32 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63795722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).