2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde

C12H17NO2 — CID 165107258

IUPAC2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
SMILESCOc1ccc([C@@H](C)N(C)CC=O)cc1
InChIInChI=1S/C12H17NO2/c1-10(13(2)8-9-14)11-4-6-12(15-3)7-5-11/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1
InChIKeyRZTHYORGSYWTJK-SNVBAGLBSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds5

About 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde

2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde (PubChem CID 165107258) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
PubChem CID165107258
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
SMILESCOc1ccc([C@@H](C)N(C)CC=O)cc1
InChIInChI=1S/C12H17NO2/c1-10(13(2)8-9-14)11-4-6-12(15-3)7-5-11/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1
InChIKeyRZTHYORGSYWTJK-SNVBAGLBSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(iodomethyl)-4-[1-(4-methoxyphenyl)ethyl-methylamino]butanal
CID 144923013
1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine
CID 165107263
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119704713
N,N-bis(2-chloroethyl)-1-(4-methoxyphenyl)ethanamine
CID 18416854
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
CID 172635703
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16782629
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 119704697

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde?
The IUPAC name of 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde (CID 165107258) is 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde.
What is the SMILES notation for 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde?
The canonical SMILES for 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde is COc1ccc([C@@H](C)N(C)CC=O)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde?
The InChIKey is RZTHYORGSYWTJK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(13(2)8-9-14)11-4-6-12(15-3)7-5-11/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde?
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde has a molecular weight of 207.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde is sourced from PubChem (CID 165107258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).