1-methoxy-1-phenyl-N-propylpropan-2-amine

C13H21NO — CID 116773234

IUPAC1-methoxy-1-phenyl-N-propylpropan-2-amine
SMILESCCCNC(C)C(OC)c1ccccc1
InChIInChI=1S/C13H21NO/c1-4-10-14-11(2)13(15-3)12-8-6-5-7-9-12/h5-9,11,13-14H,4,10H2,1-3H3
InChIKeyNFKWUICMWYSWNU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds6

About 1-methoxy-1-phenyl-N-propylpropan-2-amine

1-methoxy-1-phenyl-N-propylpropan-2-amine (PubChem CID 116773234) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methoxy-1-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-1-phenyl-N-propylpropan-2-amine
PubChem CID116773234
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-methoxy-1-phenyl-N-propylpropan-2-amine
SMILESCCCNC(C)C(OC)c1ccccc1
InChIInChI=1S/C13H21NO/c1-4-10-14-11(2)13(15-3)12-8-6-5-7-9-12/h5-9,11,13-14H,4,10H2,1-3H3
InChIKeyNFKWUICMWYSWNU-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol
CID 7311097
1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
CID 116773236
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
3-phenyl-N-propylpentan-2-amine
CID 66438754
1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
CID 116773267
1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
CID 103031290
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine
CID 116773278
3-(furan-2-yl)-1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773231
1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116773230
(1R,2S)-1-methoxy-1-phenyl-N-triphenylsilylpropan-2-amine
CID 102215132
(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-phenyl-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-1-phenyl-N-propylpropan-2-amine (CID 116773234) is 1-methoxy-1-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-1-phenyl-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-1-phenyl-N-propylpropan-2-amine is CCCNC(C)C(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-1-phenyl-N-propylpropan-2-amine?
The InChIKey is NFKWUICMWYSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-10-14-11(2)13(15-3)12-8-6-5-7-9-12/h5-9,11,13-14H,4,10H2,1-3H3.
What are the key properties of 1-methoxy-1-phenyl-N-propylpropan-2-amine?
1-methoxy-1-phenyl-N-propylpropan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 116773234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).