(1R)-1-(2-octan-2-yloxyphenyl)ethanamine

C16H27NO — CID 78937923

IUPAC(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
SMILESCCCCCCC(C)Oc1ccccc1[C@@H](C)N
InChIInChI=1S/C16H27NO/c1-4-5-6-7-10-13(2)18-16-12-9-8-11-15(16)14(3)17/h8-9,11-14H,4-7,10,17H2,1-3H3/t13?,14-/m1/s1
InChIKeyWNJQIQXMHSQVGC-ARLHGKGLSA-N
MW249.40 g/mol
LogP4.44
Rot. Bonds8

About (1R)-1-(2-octan-2-yloxyphenyl)ethanamine

(1R)-1-(2-octan-2-yloxyphenyl)ethanamine (PubChem CID 78937923) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (1R)-1-(2-octan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
PubChem CID78937923
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
SMILESCCCCCCC(C)Oc1ccccc1[C@@H](C)N
InChIInChI=1S/C16H27NO/c1-4-5-6-7-10-13(2)18-16-12-9-8-11-15(16)14(3)17/h8-9,11-14H,4-7,10,17H2,1-3H3/t13?,14-/m1/s1
InChIKeyWNJQIQXMHSQVGC-ARLHGKGLSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.44
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

1-(2-octan-2-yloxyphenyl)propan-1-amine
CID 112678434
1-(difluoromethyl)-2-undecan-2-yloxybenzene
CID 150271588
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
2-[(2S)-octan-2-yl]oxybenzaldehyde
CID 36690507
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
2-methoxy-6-octan-2-yloxyaniline
CID 113392822
bis(2-octan-2-yloxyphenyl) benzene-1,2-dicarboxylate
CID 175055883

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-octan-2-yloxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-octan-2-yloxyphenyl)ethanamine (CID 78937923) is (1R)-1-(2-octan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-octan-2-yloxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-octan-2-yloxyphenyl)ethanamine is CCCCCCC(C)Oc1ccccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(2-octan-2-yloxyphenyl)ethanamine?
The InChIKey is WNJQIQXMHSQVGC-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-6-7-10-13(2)18-16-12-9-8-11-15(16)14(3)17/h8-9,11-14H,4-7,10,17H2,1-3H3/t13?,14-/m1/s1.
What are the key properties of (1R)-1-(2-octan-2-yloxyphenyl)ethanamine?
(1R)-1-(2-octan-2-yloxyphenyl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-octan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 78937923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).