3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol

C15H21NO — CID 54494508

IUPAC3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol
SMILESCN(C)C[C@H]1CCCC=C1c1cccc(O)c1
InChIInChI=1S/C15H21NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-10,13,17H,3-4,6,11H2,1-2H3/t13-/m1/s1
InChIKeyXYCKBGKBVTXFAQ-CYBMUJFWSA-N
MW231.34 g/mol
LogP3.14
Rot. Bonds3

About 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol

3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol (PubChem CID 54494508) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol.

Molecular Properties

Compound Name3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol
PubChem CID54494508
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol
SMILESCN(C)C[C@H]1CCCC=C1c1cccc(O)c1
InChIInChI=1S/C15H21NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-10,13,17H,3-4,6,11H2,1-2H3/t13-/m1/s1
InChIKeyXYCKBGKBVTXFAQ-CYBMUJFWSA-N
XLogP3.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol?
The IUPAC name of 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol (CID 54494508) is 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol.
What is the SMILES notation for 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol?
The canonical SMILES for 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol is CN(C)C[C@H]1CCCC=C1c1cccc(O)c1.
What is the InChIKey of 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol?
The InChIKey is XYCKBGKBVTXFAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-10,13,17H,3-4,6,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol?
3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol has a molecular weight of 231.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6S)-6-[(dimethylamino)methyl]cyclohexen-1-yl]phenol is sourced from PubChem (CID 54494508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).