1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine

C15H25NO2 — CID 82353795

IUPAC1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
SMILESCCC(N)COCc1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H25NO2/c1-5-14(16)10-18-9-13-8-12(11(2)3)6-7-15(13)17-4/h6-8,11,14H,5,9-10,16H2,1-4H3
InChIKeyHBIKNFZZAPHPBR-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.07
Rot. Bonds7

About 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine

1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine (PubChem CID 82353795) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine.

Molecular Properties

Compound Name1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
PubChem CID82353795
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
SMILESCCC(N)COCc1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H25NO2/c1-5-14(16)10-18-9-13-8-12(11(2)3)6-7-15(13)17-4/h6-8,11,14H,5,9-10,16H2,1-4H3
InChIKeyHBIKNFZZAPHPBR-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate
CID 130325605
N-ethyl-2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]ethanamine
CID 82353953
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]-N-methylacetohydrazide
CID 116845331
1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343720
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
CID 54936626
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol
CID 116930752
1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene
CID 118188287
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butanenitrile
CID 116931504
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine?
The IUPAC name of 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine (CID 82353795) is 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine.
What is the SMILES notation for 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine?
The canonical SMILES for 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine is CCC(N)COCc1cc(C(C)C)ccc1OC.
What is the InChIKey of 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine?
The InChIKey is HBIKNFZZAPHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-14(16)10-18-9-13-8-12(11(2)3)6-7-15(13)17-4/h6-8,11,14H,5,9-10,16H2,1-4H3.
What are the key properties of 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine?
1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine is sourced from PubChem (CID 82353795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).