N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine

C18H29NO — CID 115482290

IUPACN-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)c(CC)c1)C1OCCC1C
InChIInChI=1S/C18H29NO/c1-5-14-8-9-16(12-15(14)6-2)17(19-7-3)18-13(4)10-11-20-18/h8-9,12-13,17-19H,5-7,10-11H2,1-4H3
InChIKeyYTNUEHUTIDMRLZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.89
Rot. Bonds6

About N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine

N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 115482290) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
PubChem CID115482290
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)c(CC)c1)C1OCCC1C
InChIInChI=1S/C18H29NO/c1-5-14-8-9-16(12-15(14)6-2)17(19-7-3)18-13(4)10-11-20-18/h8-9,12-13,17-19H,5-7,10-11H2,1-4H3
InChIKeyYTNUEHUTIDMRLZ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 115481965
N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105006959
N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105053721
1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 115482207
N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105045848
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515
N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851069
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105018793
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105047110
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105301069
1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482256

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine (CID 115482290) is N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1ccc(CC)c(CC)c1)C1OCCC1C.
What is the InChIKey of N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is YTNUEHUTIDMRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-14-8-9-16(12-15(14)6-2)17(19-7-3)18-13(4)10-11-20-18/h8-9,12-13,17-19H,5-7,10-11H2,1-4H3.
What are the key properties of N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 115482290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).