(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol

C15H23NO2 — CID 67880117

IUPAC(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol
SMILESCO[C@H]1CCC[C@@H](N(C)Cc2ccccc2)[C@@H]1O
InChIInChI=1S/C15H23NO2/c1-16(11-12-7-4-3-5-8-12)13-9-6-10-14(18-2)15(13)17/h3-5,7-8,13-15,17H,6,9-11H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyFLAKSMVKLCXQQT-ILXRZTDVSA-N
MW249.35 g/mol
LogP2.05
Rot. Bonds4

About (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol

(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol (PubChem CID 67880117) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol
PubChem CID67880117
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol
SMILESCO[C@H]1CCC[C@@H](N(C)Cc2ccccc2)[C@@H]1O
InChIInChI=1S/C15H23NO2/c1-16(11-12-7-4-3-5-8-12)13-9-6-10-14(18-2)15(13)17/h3-5,7-8,13-15,17H,6,9-11H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyFLAKSMVKLCXQQT-ILXRZTDVSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol?
The IUPAC name of (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol (CID 67880117) is (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol.
What is the SMILES notation for (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol?
The canonical SMILES for (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol is CO[C@H]1CCC[C@@H](N(C)Cc2ccccc2)[C@@H]1O.
What is the InChIKey of (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol?
The InChIKey is FLAKSMVKLCXQQT-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16(11-12-7-4-3-5-8-12)13-9-6-10-14(18-2)15(13)17/h3-5,7-8,13-15,17H,6,9-11H2,1-2H3/t13-,14+,15+/m1/s1.
What are the key properties of (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol?
(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol is sourced from PubChem (CID 67880117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).