1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine

C12H19NO — CID 71316455

IUPAC1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine
SMILES[2H]C([2H])([2H])C([2H])([2H])NC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3/i1D3,4D2
InChIKeyUSBWBBAUWVUJLA-SGEUAGPISA-N
MW198.32 g/mol
LogP2.24
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine

1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine (PubChem CID 71316455) has the molecular formula C12H19NO and a molecular weight of 198.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine
PubChem CID71316455
Molecular FormulaC12H19NO
Molecular Weight198.32 g/mol
Exact Mass198.18
IUPAC Name1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine
SMILES[2H]C([2H])([2H])C([2H])([2H])NC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3/i1D3,4D2
InChIKeyUSBWBBAUWVUJLA-SGEUAGPISA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylpropan-2-amine;hydrochloride
CID 71316446
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359265

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine (CID 71316455) is 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine is [2H]C([2H])([2H])C([2H])([2H])NC(C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine?
The InChIKey is USBWBBAUWVUJLA-SGEUAGPISA-N. The full InChI is InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3/i1D3,4D2.
What are the key properties of 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine?
1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine has a molecular weight of 198.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine is sourced from PubChem (CID 71316455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).