N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine

C13H19NO — CID 156874668

IUPACN-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine
SMILESC=C(C)N(C)C[C@@H](OC)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)14(3)10-13(15-4)12-8-6-5-7-9-12/h5-9,13H,1,10H2,2-4H3/t13-/m1/s1
InChIKeyRLEXQEMFTFBSTF-CYBMUJFWSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds5

About N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine

N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine (PubChem CID 156874668) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine
PubChem CID156874668
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine
SMILESC=C(C)N(C)C[C@@H](OC)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)14(3)10-13(15-4)12-8-6-5-7-9-12/h5-9,13H,1,10H2,2-4H3/t13-/m1/s1
InChIKeyRLEXQEMFTFBSTF-CYBMUJFWSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-2-phenylethyl)-N-propylpropan-1-amine
CID 3057528
(2R)-2-methoxy-2-phenylethanol
CID 6950345
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
CID 140824843
3-methoxy-3-phenylpropanoic acid
CID 13379217
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
(2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine
CID 146564671
[(1R)-2-fluoro-1-methoxyprop-2-enyl]benzene
CID 129405321
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
1-(2-methoxy-2-phenylethoxy)propan-2-ol
CID 59464511
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
N-iodo-2-methoxy-2-phenylethanamine
CID 175279844

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine?
The IUPAC name of N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine (CID 156874668) is N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine.
What is the SMILES notation for N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine?
The canonical SMILES for N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine is C=C(C)N(C)C[C@@H](OC)c1ccccc1.
What is the InChIKey of N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine?
The InChIKey is RLEXQEMFTFBSTF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)14(3)10-13(15-4)12-8-6-5-7-9-12/h5-9,13H,1,10H2,2-4H3/t13-/m1/s1.
What are the key properties of N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine?
N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine is sourced from PubChem (CID 156874668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).