trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol

C18H23NO — CID 58954979

IUPACtrans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol
SMILESCNC[C@]1(c2ccc3ccccc3c2)CCCC[C@@H]1O
InChIInChI=1S/C18H23NO/c1-19-13-18(11-5-4-8-17(18)20)16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12,17,19-20H,4-5,8,11,13H2,1H3/t17-,18-/m0/s1
InChIKeyREVDHAAOZGYXCV-ROUUACIJSA-N
MW269.39 g/mol
LogP3.23
Rot. Bonds3

About trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol

trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 58954979) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol
PubChem CID58954979
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Nametrans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol
SMILESCNC[C@]1(c2ccc3ccccc3c2)CCCC[C@@H]1O
InChIInChI=1S/C18H23NO/c1-19-13-18(11-5-4-8-17(18)20)16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12,17,19-20H,4-5,8,11,13H2,1H3/t17-,18-/m0/s1
InChIKeyREVDHAAOZGYXCV-ROUUACIJSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol (CID 58954979) is trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol is CNC[C@]1(c2ccc3ccccc3c2)CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is REVDHAAOZGYXCV-ROUUACIJSA-N. The full InChI is InChI=1S/C18H23NO/c1-19-13-18(11-5-4-8-17(18)20)16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12,17,19-20H,4-5,8,11,13H2,1H3/t17-,18-/m0/s1.
What are the key properties of trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol?
trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 58954979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).