1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine

C15H17BrN2 — CID 79139230

IUPAC1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-11(13-5-3-7-15(16)9-13)18-12(2)14-6-4-8-17-10-14/h3-12,18H,1-2H3/t11?,12-/m1/s1
InChIKeySNRWAKVGTWGFRB-PIJUOVFKSA-N
MW305.22 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine

1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine (PubChem CID 79139230) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
PubChem CID79139230
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-11(13-5-3-7-15(16)9-13)18-12(2)14-6-4-8-17-10-14/h3-12,18H,1-2H3/t11?,12-/m1/s1
InChIKeySNRWAKVGTWGFRB-PIJUOVFKSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 82964366
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43768152
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407566
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N-[(1S)-1-pyridin-3-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 81338107
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine (CID 79139230) is 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine is CC(N[C@H](C)c1cccnc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine?
The InChIKey is SNRWAKVGTWGFRB-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11(13-5-3-7-15(16)9-13)18-12(2)14-6-4-8-17-10-14/h3-12,18H,1-2H3/t11?,12-/m1/s1.
What are the key properties of 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine?
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine has a molecular weight of 305.22 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine is sourced from PubChem (CID 79139230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).