2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine

C21H25N3O2 — CID 100716248

IUPAC2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine
SMILESCOc1ccc(CCN[C@H](c2ccccc2)c2cnn(C)c2)cc1OC
InChIInChI=1S/C21H25N3O2/c1-24-15-18(14-23-24)21(17-7-5-4-6-8-17)22-12-11-16-9-10-19(25-2)20(13-16)26-3/h4-10,13-15,21-22H,11-12H2,1-3H3/t21-/m1/s1
InChIKeyMUIDUWXTNYWKQZ-OAQYLSRUSA-N
MW351.45 g/mol
LogP3.36
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine (PubChem CID 100716248) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine
PubChem CID100716248
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine
SMILESCOc1ccc(CCN[C@H](c2ccccc2)c2cnn(C)c2)cc1OC
InChIInChI=1S/C21H25N3O2/c1-24-15-18(14-23-24)21(17-7-5-4-6-8-17)22-12-11-16-9-10-19(25-2)20(13-16)26-3/h4-10,13-15,21-22H,11-12H2,1-3H3/t21-/m1/s1
InChIKeyMUIDUWXTNYWKQZ-OAQYLSRUSA-N
XLogP3.36
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 61350604
1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119138531
[(4-methoxy-3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105258318
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-[(2-methoxy-5-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65200292

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine (CID 100716248) is 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine is COc1ccc(CCN[C@H](c2ccccc2)c2cnn(C)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine?
The InChIKey is MUIDUWXTNYWKQZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24-15-18(14-23-24)21(17-7-5-4-6-8-17)22-12-11-16-9-10-19(25-2)20(13-16)26-3/h4-10,13-15,21-22H,11-12H2,1-3H3/t21-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine has a molecular weight of 351.45 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine is sourced from PubChem (CID 100716248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).