(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine

C15H24BrNO — CID 102946514

IUPAC(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
SMILESCCCCCCCOc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C15H24BrNO/c1-3-4-5-6-7-10-18-15-11-13(16)8-9-14(15)12(2)17/h8-9,11-12H,3-7,10,17H2,1-2H3/t12-/m1/s1
InChIKeyNXRBDNGEXALCOB-GFCCVEGCSA-N
MW314.27 g/mol
LogP4.82
Rot. Bonds8

About (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine

(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine (PubChem CID 102946514) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
PubChem CID102946514
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
SMILESCCCCCCCOc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C15H24BrNO/c1-3-4-5-6-7-10-18-15-11-13(16)8-9-14(15)12(2)17/h8-9,11-12H,3-7,10,17H2,1-2H3/t12-/m1/s1
InChIKeyNXRBDNGEXALCOB-GFCCVEGCSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.82
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-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
1-[4-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 102946275
(1S)-1-[4-bromo-2-(3-phenylpropoxy)phenyl]ethanamine
CID 102947124
1-[4-bromo-2-(3-phenylpropoxy)phenyl]ethanamine
CID 82975806
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine (CID 102946514) is (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine is CCCCCCCOc1cc(Br)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine?
The InChIKey is NXRBDNGEXALCOB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-4-5-6-7-10-18-15-11-13(16)8-9-14(15)12(2)17/h8-9,11-12H,3-7,10,17H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine?
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine has a molecular weight of 314.27 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine is sourced from PubChem (CID 102946514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).