3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine

C15H27NO2 — CID 68829384

IUPAC3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
SMILESCCC(O)(c1cccc(OC)c1)C(C)C.CNC
InChIInChI=1S/C13H20O2.C2H7N/c1-5-13(14,10(2)3)11-7-6-8-12(9-11)15-4;1-3-2/h6-10,14H,5H2,1-4H3;3H,1-2H3
InChIKeyKESSECDHJFASDL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.78
Rot. Bonds4

About 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine

3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine (PubChem CID 68829384) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
PubChem CID68829384
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
SMILESCCC(O)(c1cccc(OC)c1)C(C)C.CNC
InChIInChI=1S/C13H20O2.C2H7N/c1-5-13(14,10(2)3)11-7-6-8-12(9-11)15-4;1-3-2/h6-10,14H,5H2,1-4H3;3H,1-2H3
InChIKeyKESSECDHJFASDL-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol
CID 90977706
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol
CID 114520776
(3R,4R)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 69117113
(3S,4S)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 68538917
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 64715949
2,3-dihydroxybutanedioic acid;(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 86624368
3-[3-(1-hydroxyethoxy)phenyl]-2-methyl-1-(methylamino)pentan-3-ol
CID 142834798
2-(3-methoxyphenyl)-3-methylhexan-2-ol
CID 107892511
3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-ol
CID 65313856
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine?
The IUPAC name of 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine (CID 68829384) is 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine?
The canonical SMILES for 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine is CCC(O)(c1cccc(OC)c1)C(C)C.CNC.
What is the InChIKey of 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine?
The InChIKey is KESSECDHJFASDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C2H7N/c1-5-13(14,10(2)3)11-7-6-8-12(9-11)15-4;1-3-2/h6-10,14H,5H2,1-4H3;3H,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine?
3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine is sourced from PubChem (CID 68829384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).