1-(3-methyl-2-pentoxyphenyl)propan-2-amine

C15H25NO — CID 112615361

IUPAC1-(3-methyl-2-pentoxyphenyl)propan-2-amine
SMILESCCCCCOc1c(C)cccc1CC(C)N
InChIInChI=1S/C15H25NO/c1-4-5-6-10-17-15-12(2)8-7-9-14(15)11-13(3)16/h7-9,13H,4-6,10-11,16H2,1-3H3
InChIKeyZNRFVHRXLVEWOT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds7

About 1-(3-methyl-2-pentoxyphenyl)propan-2-amine

1-(3-methyl-2-pentoxyphenyl)propan-2-amine (PubChem CID 112615361) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3-methyl-2-pentoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-2-pentoxyphenyl)propan-2-amine
PubChem CID112615361
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(3-methyl-2-pentoxyphenyl)propan-2-amine
SMILESCCCCCOc1c(C)cccc1CC(C)N
InChIInChI=1S/C15H25NO/c1-4-5-6-10-17-15-12(2)8-7-9-14(15)11-13(3)16/h7-9,13H,4-6,10-11,16H2,1-3H3
InChIKeyZNRFVHRXLVEWOT-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
1-(3-bromo-2-octoxyphenyl)propan-2-amine
CID 63421974
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
2-decoxy-1,3-dimethylbenzene
CID 83057478

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pentoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-methyl-2-pentoxyphenyl)propan-2-amine (CID 112615361) is 1-(3-methyl-2-pentoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methyl-2-pentoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methyl-2-pentoxyphenyl)propan-2-amine is CCCCCOc1c(C)cccc1CC(C)N.
What is the InChIKey of 1-(3-methyl-2-pentoxyphenyl)propan-2-amine?
The InChIKey is ZNRFVHRXLVEWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-10-17-15-12(2)8-7-9-14(15)11-13(3)16/h7-9,13H,4-6,10-11,16H2,1-3H3.
What are the key properties of 1-(3-methyl-2-pentoxyphenyl)propan-2-amine?
1-(3-methyl-2-pentoxyphenyl)propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pentoxyphenyl)propan-2-amine is sourced from PubChem (CID 112615361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).