(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine

C21H29NO4 — CID 95180732

IUPAC(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc([C@@H](C)NCc2cc(C)c(OC)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C21H29NO4/c1-13-8-16(9-14(2)20(13)25-6)12-22-15(3)17-10-18(23-4)21(26-7)19(11-17)24-5/h8-11,15,22H,12H2,1-7H3/t15-/m1/s1
InChIKeyPTTPQIOQQKIAGI-OAHLLOKOSA-N
MW359.47 g/mol
LogP4.19
Rot. Bonds8

About (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine

(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 95180732) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID95180732
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc([C@@H](C)NCc2cc(C)c(OC)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C21H29NO4/c1-13-8-16(9-14(2)20(13)25-6)12-22-15(3)17-10-18(23-4)21(26-7)19(11-17)24-5/h8-11,15,22H,12H2,1-7H3/t15-/m1/s1
InChIKeyPTTPQIOQQKIAGI-OAHLLOKOSA-N
XLogP4.19
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
(1S)-1-(3,5-dimethylphenyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]ethanamine
CID 99805530
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
N-[(5-methyl-2-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 71969191
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384
1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119138531
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 95180732) is (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc([C@@H](C)NCc2cc(C)c(OC)c(C)c2)cc(OC)c1OC.
What is the InChIKey of (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is PTTPQIOQQKIAGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29NO4/c1-13-8-16(9-14(2)20(13)25-6)12-22-15(3)17-10-18(23-4)21(26-7)19(11-17)24-5/h8-11,15,22H,12H2,1-7H3/t15-/m1/s1.
What are the key properties of (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 359.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 95180732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).