[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium

C12H20NO+ — CID 7574544

IUPAC[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium
SMILESC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)12(13-3)10-5-7-11(14-4)8-6-10/h5-9,12-13H,1-4H3/p+1/t12-/m1/s1
InChIKeyOIBFSMQALQAMKJ-GFCCVEGCSA-O
MW194.30 g/mol
LogP1.59
Rot. Bonds4

About [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium

[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium (PubChem CID 7574544) has the molecular formula C12H20NO+ and a molecular weight of 194.30 g/mol. Its IUPAC name is [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium
PubChem CID7574544
Molecular FormulaC12H20NO+
Molecular Weight194.30 g/mol
Exact Mass194.15
IUPAC Name[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium
SMILESC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)12(13-3)10-5-7-11(14-4)8-6-10/h5-9,12-13H,1-4H3/p+1/t12-/m1/s1
InChIKeyOIBFSMQALQAMKJ-GFCCVEGCSA-O
XLogP1.59
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
CID 175713586
CID 175713586
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
(4-methoxyphenyl)methanedithiol
CID 19893185
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium?
The IUPAC name of [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium (CID 7574544) is [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium.
What is the SMILES notation for [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium?
The canonical SMILES for [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium is C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C.
What is the InChIKey of [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium?
The InChIKey is OIBFSMQALQAMKJ-GFCCVEGCSA-O. The full InChI is InChI=1S/C12H19NO/c1-9(2)12(13-3)10-5-7-11(14-4)8-6-10/h5-9,12-13H,1-4H3/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium?
[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium has a molecular weight of 194.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium is sourced from PubChem (CID 7574544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).