N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine

C18H29NO2 — CID 104993214

IUPACN-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)c1cc(C)ccc1OC
InChIInChI=1S/C18H29NO2/c1-4-19-17(9-5-7-15-8-6-12-21-15)16-13-14(2)10-11-18(16)20-3/h10-11,13,15,17,19H,4-9,12H2,1-3H3
InChIKeyDJOYALNFPAWIRC-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.00
Rot. Bonds8

About N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine

N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 104993214) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID104993214
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)c1cc(C)ccc1OC
InChIInChI=1S/C18H29NO2/c1-4-19-17(9-5-7-15-8-6-12-21-15)16-13-14(2)10-11-18(16)20-3/h10-11,13,15,17,19H,4-9,12H2,1-3H3
InChIKeyDJOYALNFPAWIRC-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(2,5-dibromophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 104993304
1-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104546060
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 107993679
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 104993366
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (CID 104993214) is N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is CCNC(CCCC1CCCO1)c1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is DJOYALNFPAWIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-17(9-5-7-15-8-6-12-21-15)16-13-14(2)10-11-18(16)20-3/h10-11,13,15,17,19H,4-9,12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 104993214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).