(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine

C15H25NO — CID 78358059

IUPAC(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
SMILESCC[C@@H](c1cccc(OC)c1)C(C)CN(C)C
InChIInChI=1S/C15H25NO/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5/h7-10,12,15H,6,11H2,1-5H3/t12?,15-/m1/s1
InChIKeyJKVBTSJLQLSTHJ-WPZCJLIBSA-N
MW235.37 g/mol
LogP3.39
Rot. Bonds6

About (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine

(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine (PubChem CID 78358059) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine.

Molecular Properties

Compound Name(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
PubChem CID78358059
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
SMILESCC[C@@H](c1cccc(OC)c1)C(C)CN(C)C
InChIInChI=1S/C15H25NO/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5/h7-10,12,15H,6,11H2,1-5H3/t12?,15-/m1/s1
InChIKeyJKVBTSJLQLSTHJ-WPZCJLIBSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine;hydrochloride
CID 69414661
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylbutan-1-amine
CID 142658972
N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine
CID 67306009
[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] N-methoxy-N-methylcarbamate
CID 50899289
[(2R,3R)-3-(3-methoxyphenyl)-2-methylpentyl]-dimethylazanium
CID 86313247
[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] N,N-di(propan-2-yl)carbamate
CID 50899395
[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] N-methylcarbamate;hydrochloride
CID 50899286
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-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] 4-methylbenzenesulfonate
CID 66553530
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine?
The IUPAC name of (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine (CID 78358059) is (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine.
What is the SMILES notation for (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine?
The canonical SMILES for (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine is CC[C@@H](c1cccc(OC)c1)C(C)CN(C)C.
What is the InChIKey of (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine?
The InChIKey is JKVBTSJLQLSTHJ-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5/h7-10,12,15H,6,11H2,1-5H3/t12?,15-/m1/s1.
What are the key properties of (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine?
(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine is sourced from PubChem (CID 78358059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).