1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine

C15H23BrN2O — CID 104804014

IUPAC1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine
SMILESCCNC(Cc1cncc(Br)c1)CC1CCCCO1
InChIInChI=1S/C15H23BrN2O/c1-2-18-14(9-15-5-3-4-6-19-15)8-12-7-13(16)11-17-10-12/h7,10-11,14-15,18H,2-6,8-9H2,1H3
InChIKeyHNGUCBKNRDLYOL-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.32
Rot. Bonds6

About 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine

1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine (PubChem CID 104804014) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine
PubChem CID104804014
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine
SMILESCCNC(Cc1cncc(Br)c1)CC1CCCCO1
InChIInChI=1S/C15H23BrN2O/c1-2-18-14(9-15-5-3-4-6-19-15)8-12-7-13(16)11-17-10-12/h7,10-11,14-15,18H,2-6,8-9H2,1H3
InChIKeyHNGUCBKNRDLYOL-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 79708965
1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 115833432
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191
N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine
CID 113391595
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928454
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 62601705
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine (CID 104804014) is 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine is CCNC(Cc1cncc(Br)c1)CC1CCCCO1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine?
The InChIKey is HNGUCBKNRDLYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-18-14(9-15-5-3-4-6-19-15)8-12-7-13(16)11-17-10-12/h7,10-11,14-15,18H,2-6,8-9H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine?
1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine has a molecular weight of 327.27 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine is sourced from PubChem (CID 104804014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).