[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol

C15H23NO2 — CID 115243357

IUPAC[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCCc1ccc(OC)c(N(C)CC2(CO)CC2)c1
InChIInChI=1S/C15H23NO2/c1-4-12-5-6-14(18-3)13(9-12)16(2)10-15(11-17)7-8-15/h5-6,9,17H,4,7-8,10-11H2,1-3H3
InChIKeyBIYWVWGNRBPFHF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.47
Rot. Bonds6

About [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol

[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol (PubChem CID 115243357) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
PubChem CID115243357
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCCc1ccc(OC)c(N(C)CC2(CO)CC2)c1
InChIInChI=1S/C15H23NO2/c1-4-12-5-6-14(18-3)13(9-12)16(2)10-15(11-17)7-8-15/h5-6,9,17H,4,7-8,10-11H2,1-3H3
InChIKeyBIYWVWGNRBPFHF-UHFFFAOYSA-N
XLogP2.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
CID 115261714
[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243345
[1-[(3-bromo-4-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243340
N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 115226672
1-(aminomethyl)-N-(5-ethyl-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182612
2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127869
3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
CID 115241577
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
[1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol
CID 123554837

Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol (CID 115243357) is [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol is CCc1ccc(OC)c(N(C)CC2(CO)CC2)c1.
What is the InChIKey of [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol?
The InChIKey is BIYWVWGNRBPFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12-5-6-14(18-3)13(9-12)16(2)10-15(11-17)7-8-15/h5-6,9,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol?
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).