N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine

C18H29NO2 — CID 103138315

IUPACN-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCCNCC(Cc1cccc(OC)c1)CC1CCC(C)O1
InChIInChI=1S/C18H29NO2/c1-4-19-13-16(12-18-9-8-14(2)21-18)10-15-6-5-7-17(11-15)20-3/h5-7,11,14,16,18-19H,4,8-10,12-13H2,1-3H3
InChIKeyFZZHZGGDWFYTAJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds8

About N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine

N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine (PubChem CID 103138315) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine
PubChem CID103138315
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCCNCC(Cc1cccc(OC)c1)CC1CCC(C)O1
InChIInChI=1S/C18H29NO2/c1-4-19-13-16(12-18-9-8-14(2)21-18)10-15-6-5-7-17(11-15)20-3/h5-7,11,14,16,18-19H,4,8-10,12-13H2,1-3H3
InChIKeyFZZHZGGDWFYTAJ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138163
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
2-(3-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115840738
5-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-2,2-dimethyloxolane
CID 116525234
3-methoxy-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833864
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053022
N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine
CID 55072812
2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine (CID 103138315) is N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine is CCNCC(Cc1cccc(OC)c1)CC1CCC(C)O1.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine?
The InChIKey is FZZHZGGDWFYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-13-16(12-18-9-8-14(2)21-18)10-15-6-5-7-17(11-15)20-3/h5-7,11,14,16,18-19H,4,8-10,12-13H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine?
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 103138315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).