1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine

C15H23NO — CID 77055971

IUPAC1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
SMILESCOCC(NCC=Cc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO/c1-13(2)15(12-17-3)16-11-7-10-14-8-5-4-6-9-14/h4-10,13,15-16H,11-12H2,1-3H3
InChIKeyLQNFIZCYWVYOAI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.96
Rot. Bonds7

About 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine

1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine (PubChem CID 77055971) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
PubChem CID77055971
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
SMILESCOCC(NCC=Cc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO/c1-13(2)15(12-17-3)16-11-7-10-14-8-5-4-6-9-14/h4-10,13,15-16H,11-12H2,1-3H3
InChIKeyLQNFIZCYWVYOAI-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine
CID 76940438
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine
CID 115866073
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
2-(3-phenylprop-2-enylamino)propane-1,3-diol
CID 77065033
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336
3-methyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid;hydrochloride
CID 51051827
(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine
CID 59058683
2-[[(E)-3-phenylprop-2-enyl]amino]butan-1-ol;hydrochloride
CID 17290182

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine (CID 77055971) is 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine is COCC(NCC=Cc1ccccc1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine?
The InChIKey is LQNFIZCYWVYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)15(12-17-3)16-11-7-10-14-8-5-4-6-9-14/h4-10,13,15-16H,11-12H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine?
1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine is sourced from PubChem (CID 77055971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).