(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine

C16H25NO2 — CID 104889511

IUPAC(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCC2CCC(C)(C)O2)cc1
InChIInChI=1S/C16H25NO2/c1-12(13-5-7-14(18-4)8-6-13)17-11-15-9-10-16(2,3)19-15/h5-8,12,15,17H,9-11H2,1-4H3/t12-,15?/m1/s1
InChIKeyWITLAQFFODSSDJ-KEKZHRQWSA-N
MW263.38 g/mol
LogP3.30
Rot. Bonds5

About (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine

(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 104889511) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID104889511
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCC2CCC(C)(C)O2)cc1
InChIInChI=1S/C16H25NO2/c1-12(13-5-7-14(18-4)8-6-13)17-11-15-9-10-16(2,3)19-15/h5-8,12,15,17H,9-11H2,1-4H3/t12-,15?/m1/s1
InChIKeyWITLAQFFODSSDJ-KEKZHRQWSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 116521281
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 116521577
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 113348515
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81370528
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
1-(2-chlorophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 116521330
N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline
CID 116521101
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
(5R)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
CID 56968307
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 116521510

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 104889511) is (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)NCC2CCC(C)(C)O2)cc1.
What is the InChIKey of (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is WITLAQFFODSSDJ-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(13-5-7-14(18-4)8-6-13)17-11-15-9-10-16(2,3)19-15/h5-8,12,15,17H,9-11H2,1-4H3/t12-,15?/m1/s1.
What are the key properties of (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 104889511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).