3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine

C15H18BrN3 — CID 97066688

IUPAC3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine
SMILESC[C@H](NCCCc1cccc(Br)c1)c1cnccn1
InChIInChI=1S/C15H18BrN3/c1-12(15-11-17-8-9-19-15)18-7-3-5-13-4-2-6-14(16)10-13/h2,4,6,8-12,18H,3,5,7H2,1H3/t12-/m0/s1
InChIKeyZQODFQIXOSKPBW-LBPRGKRZSA-N
MW320.23 g/mol
LogP3.52
Rot. Bonds6

About 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine

3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine (PubChem CID 97066688) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine
PubChem CID97066688
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine
SMILESC[C@H](NCCCc1cccc(Br)c1)c1cnccn1
InChIInChI=1S/C15H18BrN3/c1-12(15-11-17-8-9-19-15)18-7-3-5-13-4-2-6-14(16)10-13/h2,4,6,8-12,18H,3,5,7H2,1H3/t12-/m0/s1
InChIKeyZQODFQIXOSKPBW-LBPRGKRZSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
CID 103777713
2-(3-bromophenyl)-1-pyrazin-2-ylethanol
CID 60798703
N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine
CID 43094769
5-methyl-N-(1-pyrazin-2-ylethyl)hexan-1-amine
CID 81338055
4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
CID 115891455
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 81343203
1-[2-(3-bromophenyl)ethyl]-3-pyrazin-2-ylurea
CID 108893891
N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
CID 60694300
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
(1R)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine
CID 97321809
(1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine
CID 97321808

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine (CID 97066688) is 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine is C[C@H](NCCCc1cccc(Br)c1)c1cnccn1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine?
The InChIKey is ZQODFQIXOSKPBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-12(15-11-17-8-9-19-15)18-7-3-5-13-4-2-6-14(16)10-13/h2,4,6,8-12,18H,3,5,7H2,1H3/t12-/m0/s1.
What are the key properties of 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine?
3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 97066688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).