[3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol

C15H23NO — CID 158251841

IUPAC[3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol
SMILESCC=C(c1cccc(CO)c1)[C@@H](C)CN(C)C
InChIInChI=1S/C15H23NO/c1-5-15(12(2)10-16(3)4)14-8-6-7-13(9-14)11-17/h5-9,12,17H,10-11H2,1-4H3/t12-/m0/s1
InChIKeySEFJNDKXABBEPJ-LBPRGKRZSA-N
MW233.35 g/mol
LogP2.78
Rot. Bonds5

About [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol

[3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol (PubChem CID 158251841) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol
PubChem CID158251841
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol
SMILESCC=C(c1cccc(CO)c1)[C@@H](C)CN(C)C
InChIInChI=1S/C15H23NO/c1-5-15(12(2)10-16(3)4)14-8-6-7-13(9-14)11-17/h5-9,12,17H,10-11H2,1-4H3/t12-/m0/s1
InChIKeySEFJNDKXABBEPJ-LBPRGKRZSA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride
CID 18974528
(Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride
CID 140979903
3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol
CID 174432305
(E,2S)-2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpent-3-en-1-amine;hydrochloride
CID 70008456
(2S)-1-(3-aminophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 53235046
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
[3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol
CID 91079637
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913
(3-prop-1-enylphenyl)methanol
CID 73411411
3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine
CID 18974556
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367

Frequently Asked Questions

What is the IUPAC name of [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol?
The IUPAC name of [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol (CID 158251841) is [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol?
The canonical SMILES for [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol is CC=C(c1cccc(CO)c1)[C@@H](C)CN(C)C.
What is the InChIKey of [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol?
The InChIKey is SEFJNDKXABBEPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-15(12(2)10-16(3)4)14-8-6-7-13(9-14)11-17/h5-9,12,17H,10-11H2,1-4H3/t12-/m0/s1.
What are the key properties of [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol?
[3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol has a molecular weight of 233.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol is sourced from PubChem (CID 158251841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).