N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine

C18H29NO2 — CID 106200526

IUPACN-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCCC1CC1)c1cc(C)ccc1OC
InChIInChI=1S/C18H29NO2/c1-4-10-19-17(13-21-11-9-15-6-7-15)16-12-14(2)5-8-18(16)20-3/h5,8,12,15,17,19H,4,6-7,9-11,13H2,1-3H3
InChIKeyIEMATAUQJHADAJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.86
Rot. Bonds10

About N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine

N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine (PubChem CID 106200526) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
PubChem CID106200526
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCCC1CC1)c1cc(C)ccc1OC
InChIInChI=1S/C18H29NO2/c1-4-10-19-17(13-21-11-9-15-6-7-15)16-12-14(2)5-8-18(16)20-3/h5,8,12,15,17,19H,4,6-7,9-11,13H2,1-3H3
InChIKeyIEMATAUQJHADAJ-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995108
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82961009
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 106200712
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine (CID 106200526) is N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine is CCCNC(COCCC1CC1)c1cc(C)ccc1OC.
What is the InChIKey of N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The InChIKey is IEMATAUQJHADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-10-19-17(13-21-11-9-15-6-7-15)16-12-14(2)5-8-18(16)20-3/h5,8,12,15,17,19H,4,6-7,9-11,13H2,1-3H3.
What are the key properties of N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106200526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).