N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine

C13H17NO — CID 94407176

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C13H17NO/c1-5-10-14(3)11(2)12-8-6-7-9-13(12)15-4/h1,6-9,11H,10H2,2-4H3/t11-/m0/s1
InChIKeyFLMGALROPFEEKB-NSHDSACASA-N
MW203.28 g/mol
LogP2.32
Rot. Bonds4

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine

N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine (PubChem CID 94407176) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
PubChem CID94407176
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C13H17NO/c1-5-10-14(3)11(2)12-8-6-7-9-13(12)15-4/h1,6-9,11H,10H2,2-4H3/t11-/m0/s1
InChIKeyFLMGALROPFEEKB-NSHDSACASA-N
XLogP2.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 51081765
1-methoxy-2-pent-4-yn-2-ylbenzene
CID 83929027
4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]benzonitrile
CID 42957834
N-(2-cyanoethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]-N-methylacetamide
CID 94157322
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine
CID 95120663
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide
CID 94874080
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55628358
1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 42957833
(1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94104056

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine (CID 94407176) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine is C#CCN(C)[C@@H](C)c1ccccc1OC.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine?
The InChIKey is FLMGALROPFEEKB-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO/c1-5-10-14(3)11(2)12-8-6-7-9-13(12)15-4/h1,6-9,11H,10H2,2-4H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 94407176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).