3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride

C14H22ClNO — CID 18974528

IUPAC3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride
SMILESC/C=C(/c1cccc(O)c1)C(C)CN(C)C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h5-9,11,16H,10H2,1-4H3;1H/b14-5+;
InChIKeyTZOOYBCJSXMJPM-OCSIRBNJSA-N
MW255.79 g/mol
LogP3.41
Rot. Bonds4

About 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride

3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride (PubChem CID 18974528) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride
PubChem CID18974528
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride
SMILESC/C=C(/c1cccc(O)c1)C(C)CN(C)C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h5-9,11,16H,10H2,1-4H3;1H/b14-5+;
InChIKeyTZOOYBCJSXMJPM-OCSIRBNJSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride?
The IUPAC name of 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride (CID 18974528) is 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride.
What is the SMILES notation for 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride?
The canonical SMILES for 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride is C/C=C(/c1cccc(O)c1)C(C)CN(C)C.Cl.
What is the InChIKey of 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride?
The InChIKey is TZOOYBCJSXMJPM-OCSIRBNJSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h5-9,11,16H,10H2,1-4H3;1H/b14-5+;.
What are the key properties of 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride?
3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride is sourced from PubChem (CID 18974528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).