4-[nonyl(pentyl)amino]phenol

C20H35NO — CID 174874757

IUPAC4-[nonyl(pentyl)amino]phenol
SMILESCCCCCCCCCN(CCCCC)c1ccc(O)cc1
InChIInChI=1S/C20H35NO/c1-3-5-7-8-9-10-12-18-21(17-11-6-4-2)19-13-15-20(22)16-14-19/h13-16,22H,3-12,17-18H2,1-2H3
InChIKeyJTQKNPNLBAPTKS-UHFFFAOYSA-N
MW305.51 g/mol
LogP6.14
Rot. Bonds13

About 4-[nonyl(pentyl)amino]phenol

4-[nonyl(pentyl)amino]phenol (PubChem CID 174874757) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-[nonyl(pentyl)amino]phenol.

Molecular Properties

Compound Name4-[nonyl(pentyl)amino]phenol
PubChem CID174874757
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name4-[nonyl(pentyl)amino]phenol
SMILESCCCCCCCCCN(CCCCC)c1ccc(O)cc1
InChIInChI=1S/C20H35NO/c1-3-5-7-8-9-10-12-18-21(17-11-6-4-2)19-13-15-20(22)16-14-19/h13-16,22H,3-12,17-18H2,1-2H3
InChIKeyJTQKNPNLBAPTKS-UHFFFAOYSA-N
XLogP6.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 56.14
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-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N,N-diheptyl-4-methylaniline
CID 20558578
4-fluoro-N,N-dioctylaniline
CID 91747748
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
bis(4-N-[4-[4-(dioctylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-4-N-[4-(dioctylamino)phenyl]-1-N,1-N-dioctylbenzene-1,4-diamine);fluoroboronic acid
CID 173423264
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
4-[2-[4-(dihexylamino)phenyl]ethynyl]-N,N-dihexylaniline
CID 102578786
3-(dioctylamino)phenol
CID 15734569
ethane;4-methyl-N,N-dipentylaniline
CID 144729542
N,4-dibutyl-N-octylaniline
CID 175203597
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780

Frequently Asked Questions

What is the IUPAC name of 4-[nonyl(pentyl)amino]phenol?
The IUPAC name of 4-[nonyl(pentyl)amino]phenol (CID 174874757) is 4-[nonyl(pentyl)amino]phenol.
What is the SMILES notation for 4-[nonyl(pentyl)amino]phenol?
The canonical SMILES for 4-[nonyl(pentyl)amino]phenol is CCCCCCCCCN(CCCCC)c1ccc(O)cc1.
What is the InChIKey of 4-[nonyl(pentyl)amino]phenol?
The InChIKey is JTQKNPNLBAPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-3-5-7-8-9-10-12-18-21(17-11-6-4-2)19-13-15-20(22)16-14-19/h13-16,22H,3-12,17-18H2,1-2H3.
What are the key properties of 4-[nonyl(pentyl)amino]phenol?
4-[nonyl(pentyl)amino]phenol has a molecular weight of 305.51 g/mol, XLogP of 6.14, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[nonyl(pentyl)amino]phenol is sourced from PubChem (CID 174874757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).