N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine

C17H27NO2 — CID 116765029

IUPACN-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-4-18-16(13-15-7-5-6-14(2)12-15)17(19-3)8-10-20-11-9-17/h5-7,12,16,18H,4,8-11,13H2,1-3H3
InChIKeyBUMNYFPZLIQRTN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.71
Rot. Bonds6

About N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine

N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 116765029) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
PubChem CID116765029
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-4-18-16(13-15-7-5-6-14(2)12-15)17(19-3)8-10-20-11-9-17/h5-7,12,16,18H,4,8-11,13H2,1-3H3
InChIKeyBUMNYFPZLIQRTN-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764901
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
CID 116765010
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine (CID 116765029) is N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)C1(OC)CCOCC1.
What is the InChIKey of N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is BUMNYFPZLIQRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-16(13-15-7-5-6-14(2)12-15)17(19-3)8-10-20-11-9-17/h5-7,12,16,18H,4,8-11,13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine?
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 116765029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).