2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

C17H29NO2 — CID 62451206

IUPAC2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1cc(C)ccc1OC(CNCC(C)C)C(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)10-18-11-17(13(3)4)20-15-8-7-14(5)9-16(15)19-6/h7-9,12-13,17-18H,10-11H2,1-6H3
InChIKeyBVQNYJUKTGQABR-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.65
Rot. Bonds8

About 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62451206) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID62451206
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1cc(C)ccc1OC(CNCC(C)C)C(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)10-18-11-17(13(3)4)20-15-8-7-14(5)9-16(15)19-6/h7-9,12-13,17-18H,10-11H2,1-6H3
InChIKeyBVQNYJUKTGQABR-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62451021
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115475920
2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63496809
2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62460334
2-(4-bromo-2-propan-2-ylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 115402763
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63496934
N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83107386
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 62451206) is 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is COc1cc(C)ccc1OC(CNCC(C)C)C(C)C.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is BVQNYJUKTGQABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(2)10-18-11-17(13(3)4)20-15-8-7-14(5)9-16(15)19-6/h7-9,12-13,17-18H,10-11H2,1-6H3.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62451206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).