1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine

C21H29NO4 — CID 119165092

IUPAC1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H29NO4/c1-14(11-16-9-7-8-10-18(16)23-3)22-15(2)17-12-19(24-4)21(26-6)20(13-17)25-5/h7-10,12-15,22H,11H2,1-6H3
InChIKeyPQLMCBDJGVFJAG-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.00
Rot. Bonds9

About 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine

1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine (PubChem CID 119165092) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
PubChem CID119165092
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H29NO4/c1-14(11-16-9-7-8-10-18(16)23-3)22-15(2)17-12-19(24-4)21(26-6)20(13-17)25-5/h7-10,12-15,22H,11H2,1-6H3
InChIKeyPQLMCBDJGVFJAG-UHFFFAOYSA-N
XLogP4.00
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine
CID 119165186
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
CID 43173534
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-(2-methoxyphenyl)butan-2-amine;hydrochloride
CID 175344484
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
CID 106344173
1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 83119379

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine (CID 119165092) is 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine is COc1ccccc1CC(C)NC(C)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine?
The InChIKey is PQLMCBDJGVFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-14(11-16-9-7-8-10-18(16)23-3)22-15(2)17-12-19(24-4)21(26-6)20(13-17)25-5/h7-10,12-15,22H,11H2,1-6H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine?
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine has a molecular weight of 359.47 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 119165092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).