3-(octan-2-ylamino)phenol

C14H23NO — CID 43130083

IUPAC3-(octan-2-ylamino)phenol
SMILESCCCCCCC(C)Nc1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-3-4-5-6-8-12(2)15-13-9-7-10-14(16)11-13/h7,9-12,15-16H,3-6,8H2,1-2H3
InChIKeyDIXKGFYLSLFQAT-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.16
Rot. Bonds7

About 3-(octan-2-ylamino)phenol

3-(octan-2-ylamino)phenol (PubChem CID 43130083) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(octan-2-ylamino)phenol.

Molecular Properties

Compound Name3-(octan-2-ylamino)phenol
PubChem CID43130083
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(octan-2-ylamino)phenol
SMILESCCCCCCC(C)Nc1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-3-4-5-6-8-12(2)15-13-9-7-10-14(16)11-13/h7,9-12,15-16H,3-6,8H2,1-2H3
InChIKeyDIXKGFYLSLFQAT-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.16
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-(heptan-2-ylamino)phenol
CID 43207062
3-ethynyl-N-nonan-2-ylaniline
CID 43129671
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
3-(2-methylpropoxy)-N-nonan-2-ylaniline
CID 63449490
3-butan-2-yloxy-N-nonan-2-ylaniline
CID 63477987
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190
3-(octan-2-ylamino)-N-propylbenzamide
CID 43676007
3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride
CID 77230473
N-heptan-2-yl-3-propoxyaniline
CID 43693607
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851

Frequently Asked Questions

What is the IUPAC name of 3-(octan-2-ylamino)phenol?
The IUPAC name of 3-(octan-2-ylamino)phenol (CID 43130083) is 3-(octan-2-ylamino)phenol.
What is the SMILES notation for 3-(octan-2-ylamino)phenol?
The canonical SMILES for 3-(octan-2-ylamino)phenol is CCCCCCC(C)Nc1cccc(O)c1.
What is the InChIKey of 3-(octan-2-ylamino)phenol?
The InChIKey is DIXKGFYLSLFQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-6-8-12(2)15-13-9-7-10-14(16)11-13/h7,9-12,15-16H,3-6,8H2,1-2H3.
What are the key properties of 3-(octan-2-ylamino)phenol?
3-(octan-2-ylamino)phenol has a molecular weight of 221.34 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(octan-2-ylamino)phenol is sourced from PubChem (CID 43130083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).