(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine

C16H17Br2NO — CID 81381208

IUPAC(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
SMILESC[C@@H](NCCOc1cccc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C16H17Br2NO/c1-12(13-4-2-5-14(17)10-13)19-8-9-20-16-7-3-6-15(18)11-16/h2-7,10-12,19H,8-9H2,1H3/t12-/m1/s1
InChIKeySCATYBRRXVGSMF-GFCCVEGCSA-N
MW399.13 g/mol
LogP4.94
Rot. Bonds6

About (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine

(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine (PubChem CID 81381208) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
PubChem CID81381208
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
SMILESC[C@@H](NCCOc1cccc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C16H17Br2NO/c1-12(13-4-2-5-14(17)10-13)19-8-9-20-16-7-3-6-15(18)11-16/h2-7,10-12,19H,8-9H2,1H3/t12-/m1/s1
InChIKeySCATYBRRXVGSMF-GFCCVEGCSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
CID 60694300
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
CID 28673434
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
(1S)-N-[2-(3-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81378313
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 81382702
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
CID 63491866
3-[2-(3-bromophenoxy)ethylamino]-2-methylbutan-1-ol
CID 113484809
1-(3-bromophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 63455209
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine?
The IUPAC name of (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine (CID 81381208) is (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine?
The canonical SMILES for (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine is C[C@@H](NCCOc1cccc(Br)c1)c1cccc(Br)c1.
What is the InChIKey of (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine?
The InChIKey is SCATYBRRXVGSMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-12(13-4-2-5-14(17)10-13)19-8-9-20-16-7-3-6-15(18)11-16/h2-7,10-12,19H,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine?
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine has a molecular weight of 399.13 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine is sourced from PubChem (CID 81381208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).