1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine

C14H23NO — CID 82550097

IUPAC1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
SMILESCCCC(N)c1cc(C)ccc1OC(C)C
InChIInChI=1S/C14H23NO/c1-5-6-13(15)12-9-11(4)7-8-14(12)16-10(2)3/h7-10,13H,5-6,15H2,1-4H3
InChIKeyOWPLGWMBLFOIFK-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.58
Rot. Bonds5

About 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine

1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 82550097) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
PubChem CID82550097
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
SMILESCCCC(N)c1cc(C)ccc1OC(C)C
InChIInChI=1S/C14H23NO/c1-5-6-13(15)12-9-11(4)7-8-14(12)16-10(2)3/h7-10,13H,5-6,15H2,1-4H3
InChIKeyOWPLGWMBLFOIFK-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-ethoxy-5-methylphenyl)octan-1-amine
CID 63505684
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-(2-bromo-5-methylphenyl)butan-1-amine
CID 83988260
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
CID 102981344
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
CID 82553641
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
CID 63367361
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
CID 83041581

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine (CID 82550097) is 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine is CCCC(N)c1cc(C)ccc1OC(C)C.
What is the InChIKey of 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is OWPLGWMBLFOIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-13(15)12-9-11(4)7-8-14(12)16-10(2)3/h7-10,13H,5-6,15H2,1-4H3.
What are the key properties of 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine?
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 82550097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).