1-(3-bromophenyl)ethanamine;ethane

C10H16BrN — CID 142874111

IUPAC1-(3-bromophenyl)ethanamine;ethane
SMILESCC.CC(N)c1cccc(Br)c1
InChIInChI=1S/C8H10BrN.C2H6/c1-6(10)7-3-2-4-8(9)5-7;1-2/h2-6H,10H2,1H3;1-2H3
InChIKeyONTKHDRHBNTFJV-UHFFFAOYSA-N
MW230.15 g/mol
LogP3.49
Rot. Bonds1

About 1-(3-bromophenyl)ethanamine;ethane

1-(3-bromophenyl)ethanamine;ethane (PubChem CID 142874111) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)ethanamine;ethane.

Molecular Properties

Compound Name1-(3-bromophenyl)ethanamine;ethane
PubChem CID142874111
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name1-(3-bromophenyl)ethanamine;ethane
SMILESCC.CC(N)c1cccc(Br)c1
InChIInChI=1S/C8H10BrN.C2H6/c1-6(10)7-3-2-4-8(9)5-7;1-2/h2-6H,10H2,1H3;1-2H3
InChIKeyONTKHDRHBNTFJV-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dibromophenyl)ethanamine
CID 23147757
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
4-(3-bromophenyl)pentan-2-amine
CID 83912731
amino-(3-bromophenyl)methanethiol
CID 116939544
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
CID 116948153
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1-(3-bromophenyl)-2,2-difluoroethanamine
CID 84699210
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)ethanamine;ethane?
The IUPAC name of 1-(3-bromophenyl)ethanamine;ethane (CID 142874111) is 1-(3-bromophenyl)ethanamine;ethane.
What is the SMILES notation for 1-(3-bromophenyl)ethanamine;ethane?
The canonical SMILES for 1-(3-bromophenyl)ethanamine;ethane is CC.CC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)ethanamine;ethane?
The InChIKey is ONTKHDRHBNTFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.C2H6/c1-6(10)7-3-2-4-8(9)5-7;1-2/h2-6H,10H2,1H3;1-2H3.
What are the key properties of 1-(3-bromophenyl)ethanamine;ethane?
1-(3-bromophenyl)ethanamine;ethane has a molecular weight of 230.15 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)ethanamine;ethane is sourced from PubChem (CID 142874111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).