3-(heptan-2-ylamino)phenol

C13H21NO — CID 43207062

IUPAC3-(heptan-2-ylamino)phenol
SMILESCCCCCC(C)Nc1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-3-4-5-7-11(2)14-12-8-6-9-13(15)10-12/h6,8-11,14-15H,3-5,7H2,1-2H3
InChIKeyPFQNQEVBTKRYFV-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.77
Rot. Bonds6

About 3-(heptan-2-ylamino)phenol

3-(heptan-2-ylamino)phenol (PubChem CID 43207062) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(heptan-2-ylamino)phenol.

Molecular Properties

Compound Name3-(heptan-2-ylamino)phenol
PubChem CID43207062
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(heptan-2-ylamino)phenol
SMILESCCCCCC(C)Nc1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-3-4-5-7-11(2)14-12-8-6-9-13(15)10-12/h6,8-11,14-15H,3-5,7H2,1-2H3
InChIKeyPFQNQEVBTKRYFV-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.77
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-(octan-2-ylamino)phenol
CID 43130083
3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride
CID 77230473
3-ethynyl-N-nonan-2-ylaniline
CID 43129671
N-heptan-2-yl-3-propoxyaniline
CID 43693607
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851
3-(2-methylpropoxy)-N-nonan-2-ylaniline
CID 63449490
3-butan-2-yloxy-N-nonan-2-ylaniline
CID 63477987
4-[3-(heptan-2-ylamino)phenoxy]butanenitrile
CID 60942616
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190
3-(octan-2-ylamino)-N-propylbenzamide
CID 43676007

Frequently Asked Questions

What is the IUPAC name of 3-(heptan-2-ylamino)phenol?
The IUPAC name of 3-(heptan-2-ylamino)phenol (CID 43207062) is 3-(heptan-2-ylamino)phenol.
What is the SMILES notation for 3-(heptan-2-ylamino)phenol?
The canonical SMILES for 3-(heptan-2-ylamino)phenol is CCCCCC(C)Nc1cccc(O)c1.
What is the InChIKey of 3-(heptan-2-ylamino)phenol?
The InChIKey is PFQNQEVBTKRYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-5-7-11(2)14-12-8-6-9-13(15)10-12/h6,8-11,14-15H,3-5,7H2,1-2H3.
What are the key properties of 3-(heptan-2-ylamino)phenol?
3-(heptan-2-ylamino)phenol has a molecular weight of 207.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptan-2-ylamino)phenol is sourced from PubChem (CID 43207062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).