N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine

C17H27NO2 — CID 104705771

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCC2(OC)CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-5-15-6-8-16(9-7-15)14(2)18-12-17(19-3)10-11-20-13-17/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyMIGWPKMHQNZJSS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.10
Rot. Bonds7

About N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine

N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine (PubChem CID 104705771) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
PubChem CID104705771
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCC2(OC)CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-5-15-6-8-16(9-7-15)14(2)18-12-17(19-3)10-11-20-13-17/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyMIGWPKMHQNZJSS-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104705857
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 104759790
4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 104759725
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
CID 104705116
3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 107715417
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104759685

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine (CID 104705771) is N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NCC2(OC)CCOC2)cc1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine?
The InChIKey is MIGWPKMHQNZJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-5-15-6-8-16(9-7-15)14(2)18-12-17(19-3)10-11-20-13-17/h6-9,14,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 104705771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).