3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane

C15H27NO — CID 159304421

IUPAC3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
SMILESC.CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C
InChIInChI=1S/C14H23NO.CH4/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H4/t11-,14+;/m0./s1
InChIKeyLBSUTCKJILYWLG-YECZQDJWSA-N
MW237.39 g/mol
LogP3.72
Rot. Bonds5

About 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane

3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane (PubChem CID 159304421) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane.

Molecular Properties

Compound Name3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
PubChem CID159304421
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
SMILESC.CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C
InChIInChI=1S/C14H23NO.CH4/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H4/t11-,14+;/m0./s1
InChIKeyLBSUTCKJILYWLG-YECZQDJWSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
CID 69349289
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
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrate
CID 90279936
3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
CID 70853706
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;pyridine-3-carboxylic acid
CID 66680084
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 71558543
3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol
CID 118204770
(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
CID 78358059
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol
CID 87967492

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane?
The IUPAC name of 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane (CID 159304421) is 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane.
What is the SMILES notation for 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane?
The canonical SMILES for 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane is C.CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.
What is the InChIKey of 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane?
The InChIKey is LBSUTCKJILYWLG-YECZQDJWSA-N. The full InChI is InChI=1S/C14H23NO.CH4/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H4/t11-,14+;/m0./s1.
What are the key properties of 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane?
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane has a molecular weight of 237.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane is sourced from PubChem (CID 159304421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).