3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride

C16H24ClNO — CID 18974514

IUPAC3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride
SMILESCC1C=C(c2cccc(O)c2)C(CN(C)C)CC1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-12-7-8-14(11-17(2)3)16(9-12)13-5-4-6-15(18)10-13;/h4-6,9-10,12,14,18H,7-8,11H2,1-3H3;1H
InChIKeyMLJHCZVPJDQUJZ-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.81
Rot. Bonds3

About 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride

3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride (PubChem CID 18974514) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride
PubChem CID18974514
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride
SMILESCC1C=C(c2cccc(O)c2)C(CN(C)C)CC1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-12-7-8-14(11-17(2)3)16(9-12)13-5-4-6-15(18)10-13;/h4-6,9-10,12,14,18H,7-8,11H2,1-3H3;1H
InChIKeyMLJHCZVPJDQUJZ-UHFFFAOYSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride?
The IUPAC name of 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride (CID 18974514) is 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride.
What is the SMILES notation for 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride?
The canonical SMILES for 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride is CC1C=C(c2cccc(O)c2)C(CN(C)C)CC1.Cl.
What is the InChIKey of 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride?
The InChIKey is MLJHCZVPJDQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c1-12-7-8-14(11-17(2)3)16(9-12)13-5-4-6-15(18)10-13;/h4-6,9-10,12,14,18H,7-8,11H2,1-3H3;1H.
What are the key properties of 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride?
3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(dimethylamino)methyl]-3-methylcyclohexen-1-yl]phenol;hydrochloride is sourced from PubChem (CID 18974514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).