[3-(2-propylpentoxy)phenyl]methanamine

C15H25NO — CID 58027597

IUPAC[3-(2-propylpentoxy)phenyl]methanamine
SMILESCCCC(CCC)COc1cccc(CN)c1
InChIInChI=1S/C15H25NO/c1-3-6-13(7-4-2)12-17-15-9-5-8-14(10-15)11-16/h5,8-10,13H,3-4,6-7,11-12,16H2,1-2H3
InChIKeyPMNCDFAEWMHCMA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.74
Rot. Bonds8

About [3-(2-propylpentoxy)phenyl]methanamine

[3-(2-propylpentoxy)phenyl]methanamine (PubChem CID 58027597) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is [3-(2-propylpentoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-propylpentoxy)phenyl]methanamine
PubChem CID58027597
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name[3-(2-propylpentoxy)phenyl]methanamine
SMILESCCCC(CCC)COc1cccc(CN)c1
InChIInChI=1S/C15H25NO/c1-3-6-13(7-4-2)12-17-15-9-5-8-14(10-15)11-16/h5,8-10,13H,3-4,6-7,11-12,16H2,1-2H3
InChIKeyPMNCDFAEWMHCMA-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
CID 126619606
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
3-[3-(2-propylpentoxy)phenyl]propylhydrazine
CID 170000414
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
(3-hept-3-ynoxyphenyl)methanamine
CID 68777046
(1S,2R)-3-amino-2-methyl-1-[3-(2-propylpentoxy)phenyl]propan-1-ol
CID 118334144
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[3-(2,3,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 150786633
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590

Frequently Asked Questions

What is the IUPAC name of [3-(2-propylpentoxy)phenyl]methanamine?
The IUPAC name of [3-(2-propylpentoxy)phenyl]methanamine (CID 58027597) is [3-(2-propylpentoxy)phenyl]methanamine.
What is the SMILES notation for [3-(2-propylpentoxy)phenyl]methanamine?
The canonical SMILES for [3-(2-propylpentoxy)phenyl]methanamine is CCCC(CCC)COc1cccc(CN)c1.
What is the InChIKey of [3-(2-propylpentoxy)phenyl]methanamine?
The InChIKey is PMNCDFAEWMHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-6-13(7-4-2)12-17-15-9-5-8-14(10-15)11-16/h5,8-10,13H,3-4,6-7,11-12,16H2,1-2H3.
What are the key properties of [3-(2-propylpentoxy)phenyl]methanamine?
[3-(2-propylpentoxy)phenyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-propylpentoxy)phenyl]methanamine is sourced from PubChem (CID 58027597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).