2-[4-(heptan-4-ylamino)phenyl]ethanol

C15H25NO — CID 61236944

IUPAC2-[4-(heptan-4-ylamino)phenyl]ethanol
SMILESCCCC(CCC)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H25NO/c1-3-5-14(6-4-2)16-15-9-7-13(8-10-15)11-12-17/h7-10,14,16-17H,3-6,11-12H2,1-2H3
InChIKeyWMDGWTIQHGZSCZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.60
Rot. Bonds8

About 2-[4-(heptan-4-ylamino)phenyl]ethanol

2-[4-(heptan-4-ylamino)phenyl]ethanol (PubChem CID 61236944) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[4-(heptan-4-ylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(heptan-4-ylamino)phenyl]ethanol
PubChem CID61236944
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[4-(heptan-4-ylamino)phenyl]ethanol
SMILESCCCC(CCC)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H25NO/c1-3-5-14(6-4-2)16-15-9-7-13(8-10-15)11-12-17/h7-10,14,16-17H,3-6,11-12H2,1-2H3
InChIKeyWMDGWTIQHGZSCZ-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
N-heptan-4-yl-4-pentylaniline
CID 63421629
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265
2-[4-(1-phenylbutyl)phenyl]ethanol
CID 166439052
2-[4-[1-(4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236407
2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol
CID 103932218
4-methyl-N-octan-4-ylaniline
CID 12779858
2-[4-(2-methylbutylamino)phenyl]ethanol
CID 61238762
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(heptan-4-ylamino)phenyl]ethanol?
The IUPAC name of 2-[4-(heptan-4-ylamino)phenyl]ethanol (CID 61236944) is 2-[4-(heptan-4-ylamino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(heptan-4-ylamino)phenyl]ethanol?
The canonical SMILES for 2-[4-(heptan-4-ylamino)phenyl]ethanol is CCCC(CCC)Nc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(heptan-4-ylamino)phenyl]ethanol?
The InChIKey is WMDGWTIQHGZSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-5-14(6-4-2)16-15-9-7-13(8-10-15)11-12-17/h7-10,14,16-17H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[4-(heptan-4-ylamino)phenyl]ethanol?
2-[4-(heptan-4-ylamino)phenyl]ethanol has a molecular weight of 235.37 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(heptan-4-ylamino)phenyl]ethanol is sourced from PubChem (CID 61236944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).