(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine

C19H23NO — CID 66895858

IUPAC(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1cccc([C@@H](C)NC/C(C)=C/c2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-15(12-17-8-5-4-6-9-17)14-20-16(2)18-10-7-11-19(13-18)21-3/h4-13,16,20H,14H2,1-3H3/b15-12+/t16-/m1/s1
InChIKeyIFHJRTJKFIOMEU-ASNKMWSDSA-N
MW281.40 g/mol
LogP4.45
Rot. Bonds6

About (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine

(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine (PubChem CID 66895858) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
PubChem CID66895858
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1cccc([C@@H](C)NC/C(C)=C/c2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-15(12-17-8-5-4-6-9-17)14-20-16(2)18-10-7-11-19(13-18)21-3/h4-13,16,20H,14H2,1-3H3/b15-12+/t16-/m1/s1
InChIKeyIFHJRTJKFIOMEU-ASNKMWSDSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 107900149
2-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 81373833
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine
CID 57174286
N-butan-2-yl-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373552
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81373699
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81354994
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine (CID 66895858) is (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine is COc1cccc([C@@H](C)NC/C(C)=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is IFHJRTJKFIOMEU-ASNKMWSDSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(12-17-8-5-4-6-9-17)14-20-16(2)18-10-7-11-19(13-18)21-3/h4-13,16,20H,14H2,1-3H3/b15-12+/t16-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine?
(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 66895858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).