4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline

C16H19BrN2 — CID 55191001

IUPAC4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C16H19BrN2/c1-3-19(14-7-5-4-6-8-14)16-10-9-13(12(2)18)11-15(16)17/h4-12H,3,18H2,1-2H3/t12-/m1/s1
InChIKeyFNTZLTSLDGJLQX-GFCCVEGCSA-N
MW319.25 g/mol
LogP4.63
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline

4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline (PubChem CID 55191001) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline
PubChem CID55191001
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C16H19BrN2/c1-3-19(14-7-5-4-6-8-14)16-10-9-13(12(2)18)11-15(16)17/h4-12H,3,18H2,1-2H3/t12-/m1/s1
InChIKeyFNTZLTSLDGJLQX-GFCCVEGCSA-N
XLogP4.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline (CID 55191001) is 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline is CCN(c1ccccc1)c1ccc([C@@H](C)N)cc1Br.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline?
The InChIKey is FNTZLTSLDGJLQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-19(14-7-5-4-6-8-14)16-10-9-13(12(2)18)11-15(16)17/h4-12H,3,18H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline?
4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline has a molecular weight of 319.25 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline is sourced from PubChem (CID 55191001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).