N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine

C19H23NO — CID 57174286

IUPACN-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine
SMILESCOc1cccc(C(C)NCC=Cc2cccc(C)c2)c1
InChIInChI=1S/C19H23NO/c1-15-7-4-8-17(13-15)9-6-12-20-16(2)18-10-5-11-19(14-18)21-3/h4-11,13-14,16,20H,12H2,1-3H3
InChIKeyRSAAPVHJGLZQRQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine

N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine (PubChem CID 57174286) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine
PubChem CID57174286
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine
SMILESCOc1cccc(C(C)NCC=Cc2cccc(C)c2)c1
InChIInChI=1S/C19H23NO/c1-15-7-4-8-17(13-15)9-6-12-20-16(2)18-10-5-11-19(14-18)21-3/h4-11,13-14,16,20H,12H2,1-3H3
InChIKeyRSAAPVHJGLZQRQ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 107900149
(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 66895858
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115556675
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[(1R)-1-(3-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 81372969
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373125
ethyl (E)-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]but-2-enoate
CID 81360427
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine (CID 57174286) is N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine is COc1cccc(C(C)NCC=Cc2cccc(C)c2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine?
The InChIKey is RSAAPVHJGLZQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-7-4-8-17(13-15)9-6-12-20-16(2)18-10-5-11-19(14-18)21-3/h4-11,13-14,16,20H,12H2,1-3H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine?
N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 57174286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).