3-[1-(dimethylamino)-2-methylpentyl]phenol

C14H23NO — CID 123306996

IUPAC3-[1-(dimethylamino)-2-methylpentyl]phenol
SMILESCCCC(C)C(c1cccc(O)c1)N(C)C
InChIInChI=1S/C14H23NO/c1-5-7-11(2)14(15(3)4)12-8-6-9-13(16)10-12/h6,8-11,14,16H,5,7H2,1-4H3
InChIKeyLOEBBJJFTWTULX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.43
Rot. Bonds5

About 3-[1-(dimethylamino)-2-methylpentyl]phenol

3-[1-(dimethylamino)-2-methylpentyl]phenol (PubChem CID 123306996) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[1-(dimethylamino)-2-methylpentyl]phenol.

Molecular Properties

Compound Name3-[1-(dimethylamino)-2-methylpentyl]phenol
PubChem CID123306996
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[1-(dimethylamino)-2-methylpentyl]phenol
SMILESCCCC(C)C(c1cccc(O)c1)N(C)C
InChIInChI=1S/C14H23NO/c1-5-7-11(2)14(15(3)4)12-8-6-9-13(16)10-12/h6,8-11,14,16H,5,7H2,1-4H3
InChIKeyLOEBBJJFTWTULX-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
CID 70853706
3-octan-4-ylphenol
CID 54137408
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-pentadecan-2-ylphenol
CID 57199867
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-(2-methylpentylamino)ethyl]phenol
CID 43748423
methylcarbamic acid;3-pentan-2-ylphenol
CID 174607568
3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
CID 171162121
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)-2-methylpentyl]phenol?
The IUPAC name of 3-[1-(dimethylamino)-2-methylpentyl]phenol (CID 123306996) is 3-[1-(dimethylamino)-2-methylpentyl]phenol.
What is the SMILES notation for 3-[1-(dimethylamino)-2-methylpentyl]phenol?
The canonical SMILES for 3-[1-(dimethylamino)-2-methylpentyl]phenol is CCCC(C)C(c1cccc(O)c1)N(C)C.
What is the InChIKey of 3-[1-(dimethylamino)-2-methylpentyl]phenol?
The InChIKey is LOEBBJJFTWTULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-7-11(2)14(15(3)4)12-8-6-9-13(16)10-12/h6,8-11,14,16H,5,7H2,1-4H3.
What are the key properties of 3-[1-(dimethylamino)-2-methylpentyl]phenol?
3-[1-(dimethylamino)-2-methylpentyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)-2-methylpentyl]phenol is sourced from PubChem (CID 123306996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).