(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine

C16H27NO — CID 150211200

IUPAC(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine
SMILESCC[C@H](CN)C[C@H](C)CCc1ccccc1OC
InChIInChI=1S/C16H27NO/c1-4-14(12-17)11-13(2)9-10-15-7-5-6-8-16(15)18-3/h5-8,13-14H,4,9-12,17H2,1-3H3/t13-,14+/m1/s1
InChIKeyFRNGMFFCNUAVRK-KGLIPLIRSA-N
MW249.40 g/mol
LogP3.64
Rot. Bonds8

About (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine

(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine (PubChem CID 150211200) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine.

Molecular Properties

Compound Name(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine
PubChem CID150211200
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine
SMILESCC[C@H](CN)C[C@H](C)CCc1ccccc1OC
InChIInChI=1S/C16H27NO/c1-4-14(12-17)11-13(2)9-10-15-7-5-6-8-16(15)18-3/h5-8,13-14H,4,9-12,17H2,1-3H3/t13-,14+/m1/s1
InChIKeyFRNGMFFCNUAVRK-KGLIPLIRSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-methoxyphenyl)ethanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine?
The IUPAC name of (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine (CID 150211200) is (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine.
What is the SMILES notation for (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine?
The canonical SMILES for (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine is CC[C@H](CN)C[C@H](C)CCc1ccccc1OC.
What is the InChIKey of (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine?
The InChIKey is FRNGMFFCNUAVRK-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-14(12-17)11-13(2)9-10-15-7-5-6-8-16(15)18-3/h5-8,13-14H,4,9-12,17H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine?
(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine is sourced from PubChem (CID 150211200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).