1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol

C16H25NO3 — CID 106261580

IUPAC1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccccc1CCNCC(O)COCC1CC1
InChIInChI=1S/C16H25NO3/c1-19-16-5-3-2-4-14(16)8-9-17-10-15(18)12-20-11-13-6-7-13/h2-5,13,15,17-18H,6-12H2,1H3
InChIKeyICNWMGBVJOVVMN-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.61
Rot. Bonds10

About 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol

1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol (PubChem CID 106261580) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol
PubChem CID106261580
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccccc1CCNCC(O)COCC1CC1
InChIInChI=1S/C16H25NO3/c1-19-16-5-3-2-4-14(16)8-9-17-10-15(18)12-20-11-13-6-7-13/h2-5,13,15,17-18H,6-12H2,1H3
InChIKeyICNWMGBVJOVVMN-UHFFFAOYSA-N
XLogP1.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
3-hydroxy-4-[2-(2-methoxyphenyl)ethylamino]butanoic acid
CID 106261779
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 106104833
2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 106259721
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
1-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103775898
1-(2-methoxyethoxy)-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 106990151
1-(furan-2-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanol
CID 106261262

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol (CID 106261580) is 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol is COc1ccccc1CCNCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol?
The InChIKey is ICNWMGBVJOVVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-19-16-5-3-2-4-14(16)8-9-17-10-15(18)12-20-11-13-6-7-13/h2-5,13,15,17-18H,6-12H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 106261580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).