(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine

C20H23BrN2 — CID 22806370

IUPAC(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine
SMILESC[C@H](N)c1ccc(Br)cc1.C[C@H](N)c1cccc2ccccc12
InChIInChI=1S/C12H13N.C8H10BrN/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;1-6(10)7-2-4-8(9)5-3-7/h2-9H,13H2,1H3;2-6H,10H2,1H3/t9-;6-/m00/s1
InChIKeyDWGLKVYICXQCHP-NRDCADONSA-N
MW371.32 g/mol
LogP5.33
Rot. Bonds2

About (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine

(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine (PubChem CID 22806370) has the molecular formula C20H23BrN2 and a molecular weight of 371.32 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine
PubChem CID22806370
Molecular FormulaC20H23BrN2
Molecular Weight371.32 g/mol
Exact Mass370.10
IUPAC Name(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine
SMILESC[C@H](N)c1ccc(Br)cc1.C[C@H](N)c1cccc2ccccc12
InChIInChI=1S/C12H13N.C8H10BrN/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;1-6(10)7-2-4-8(9)5-3-7/h2-9H,13H2,1H3;2-6H,10H2,1H3/t9-;6-/m00/s1
InChIKeyDWGLKVYICXQCHP-NRDCADONSA-N
XLogP5.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.32
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
[(4-bromophenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105192517
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
CID 64613898
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
CID 116948174
(1R)-1-(8-bromonaphthalen-2-yl)ethanamine
CID 130625970
(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine
CID 72708650
(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine (CID 22806370) is (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine is C[C@H](N)c1ccc(Br)cc1.C[C@H](N)c1cccc2ccccc12.
What is the InChIKey of (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine?
The InChIKey is DWGLKVYICXQCHP-NRDCADONSA-N. The full InChI is InChI=1S/C12H13N.C8H10BrN/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;1-6(10)7-2-4-8(9)5-3-7/h2-9H,13H2,1H3;2-6H,10H2,1H3/t9-;6-/m00/s1.
What are the key properties of (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine?
(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine has a molecular weight of 371.32 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 22806370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).