2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine

C18H29NO2 — CID 83150500

IUPAC2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccccc1OCCC(C)(CNC(C)C)C1CC1
InChIInChI=1S/C18H29NO2/c1-14(2)19-13-18(3,15-9-10-15)11-12-21-17-8-6-5-7-16(17)20-4/h5-8,14-15,19H,9-13H2,1-4H3
InChIKeyXPAWVKIIHIZCII-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.88
Rot. Bonds9

About 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine

2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 83150500) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID83150500
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccccc1OCCC(C)(CNC(C)C)C1CC1
InChIInChI=1S/C18H29NO2/c1-14(2)19-13-18(3,15-9-10-15)11-12-21-17-8-6-5-7-16(17)20-4/h5-8,14-15,19H,9-13H2,1-4H3
InChIKeyXPAWVKIIHIZCII-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine
CID 83150520
2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 83159411
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150609
2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine
CID 112591624
2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83159965
2-cyclopropyl-2-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 83160239
1-[3-(bromomethyl)-3,4-dimethylpentoxy]-2-methoxybenzene
CID 83153417
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine
CID 79627722
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759
2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159242
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine (CID 83150500) is 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine is COc1ccccc1OCCC(C)(CNC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is XPAWVKIIHIZCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)19-13-18(3,15-9-10-15)11-12-21-17-8-6-5-7-16(17)20-4/h5-8,14-15,19H,9-13H2,1-4H3.
What are the key properties of 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine?
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 83150500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).