3-[(octan-3-ylamino)methyl]phenol

C15H25NO — CID 82364591

IUPAC3-[(octan-3-ylamino)methyl]phenol
SMILESCCCCCC(CC)NCc1cccc(O)c1
InChIInChI=1S/C15H25NO/c1-3-5-6-9-14(4-2)16-12-13-8-7-10-15(17)11-13/h7-8,10-11,14,16-17H,3-6,9,12H2,1-2H3
InChIKeyWVUWDIIFFGAMDU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.84
Rot. Bonds8

About 3-[(octan-3-ylamino)methyl]phenol

3-[(octan-3-ylamino)methyl]phenol (PubChem CID 82364591) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[(octan-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(octan-3-ylamino)methyl]phenol
PubChem CID82364591
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[(octan-3-ylamino)methyl]phenol
SMILESCCCCCC(CC)NCc1cccc(O)c1
InChIInChI=1S/C15H25NO/c1-3-5-6-9-14(4-2)16-12-13-8-7-10-15(17)11-13/h7-8,10-11,14,16-17H,3-6,9,12H2,1-2H3
InChIKeyWVUWDIIFFGAMDU-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
N-[(3-chlorophenyl)methyl]heptan-3-amine
CID 4712076
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
N-benzyltridecan-6-amine
CID 166644944
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
3-[(2,2-dimethylpentan-3-ylamino)methyl]phenol;hydrochloride
CID 115616088
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719

Frequently Asked Questions

What is the IUPAC name of 3-[(octan-3-ylamino)methyl]phenol?
The IUPAC name of 3-[(octan-3-ylamino)methyl]phenol (CID 82364591) is 3-[(octan-3-ylamino)methyl]phenol.
What is the SMILES notation for 3-[(octan-3-ylamino)methyl]phenol?
The canonical SMILES for 3-[(octan-3-ylamino)methyl]phenol is CCCCCC(CC)NCc1cccc(O)c1.
What is the InChIKey of 3-[(octan-3-ylamino)methyl]phenol?
The InChIKey is WVUWDIIFFGAMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-5-6-9-14(4-2)16-12-13-8-7-10-15(17)11-13/h7-8,10-11,14,16-17H,3-6,9,12H2,1-2H3.
What are the key properties of 3-[(octan-3-ylamino)methyl]phenol?
3-[(octan-3-ylamino)methyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(octan-3-ylamino)methyl]phenol is sourced from PubChem (CID 82364591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).