1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine

C15H25NO — CID 107885578

IUPAC1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine
SMILESCCCC(C)Oc1c(C)cccc1CC(C)N
InChIInChI=1S/C15H25NO/c1-5-7-13(4)17-15-11(2)8-6-9-14(15)10-12(3)16/h6,8-9,12-13H,5,7,10,16H2,1-4H3
InChIKeyLINSCDFWQPNPLL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds6

About 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine

1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine (PubChem CID 107885578) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine
PubChem CID107885578
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine
SMILESCCCC(C)Oc1c(C)cccc1CC(C)N
InChIInChI=1S/C15H25NO/c1-5-7-13(4)17-15-11(2)8-6-9-14(15)10-12(3)16/h6,8-9,12-13H,5,7,10,16H2,1-4H3
InChIKeyLINSCDFWQPNPLL-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine
CID 114012797
ethyl 2-[2-(2-aminopropyl)-6-methylphenoxy]butanoate
CID 115958127
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1-(4-pentan-2-yloxyphenyl)propan-2-amine
CID 107885477
(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 115958032
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
CID 112615431

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine (CID 107885578) is 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine is CCCC(C)Oc1c(C)cccc1CC(C)N.
What is the InChIKey of 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine?
The InChIKey is LINSCDFWQPNPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-7-13(4)17-15-11(2)8-6-9-14(15)10-12(3)16/h6,8-9,12-13H,5,7,10,16H2,1-4H3.
What are the key properties of 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine?
1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine is sourced from PubChem (CID 107885578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).