3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol

C15H23NO — CID 126510595

IUPAC3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol
SMILESC=C(C(C)C(CC)c1cccc(O)c1)N(C)C
InChIInChI=1S/C15H23NO/c1-6-15(11(2)12(3)16(4)5)13-8-7-9-14(17)10-13/h7-11,15,17H,3,6H2,1-2,4-5H3
InChIKeyNMNMSPKQXLCMMX-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.60
Rot. Bonds5

About 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol

3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol (PubChem CID 126510595) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol
PubChem CID126510595
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol
SMILESC=C(C(C)C(CC)c1cccc(O)c1)N(C)C
InChIInChI=1S/C15H23NO/c1-6-15(11(2)12(3)16(4)5)13-8-7-9-14(17)10-13/h7-11,15,17H,3,6H2,1-2,4-5H3
InChIKeyNMNMSPKQXLCMMX-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-[(2R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
CID 69349289
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
CID 159304421
3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol
CID 87967492
3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol
CID 123630245
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 51042275
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrate
CID 90279936
3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol
CID 118204770
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-[1-(dimethylamino)-2-methylpentyl]phenol
CID 123306996

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol?
The IUPAC name of 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol (CID 126510595) is 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol.
What is the SMILES notation for 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol?
The canonical SMILES for 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol is C=C(C(C)C(CC)c1cccc(O)c1)N(C)C.
What is the InChIKey of 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol?
The InChIKey is NMNMSPKQXLCMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-15(11(2)12(3)16(4)5)13-8-7-9-14(17)10-13/h7-11,15,17H,3,6H2,1-2,4-5H3.
What are the key properties of 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol?
3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol is sourced from PubChem (CID 126510595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).