2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol

C14H22N2O — CID 79458778

IUPAC2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol
SMILESNC1CCCC(Nc2ccc(CCO)cc2)C1
InChIInChI=1S/C14H22N2O/c15-12-2-1-3-14(10-12)16-13-6-4-11(5-7-13)8-9-17/h4-7,12,14,16-17H,1-3,8-10,15H2
InChIKeyQHKNVHQIJUFHBK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol

2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol (PubChem CID 79458778) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol
PubChem CID79458778
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol
SMILESNC1CCCC(Nc2ccc(CCO)cc2)C1
InChIInChI=1S/C14H22N2O/c15-12-2-1-3-14(10-12)16-13-6-4-11(5-7-13)8-9-17/h4-7,12,14,16-17H,1-3,8-10,15H2
InChIKeyQHKNVHQIJUFHBK-UHFFFAOYSA-N
XLogP1.90
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol?
The IUPAC name of 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol (CID 79458778) is 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol is NC1CCCC(Nc2ccc(CCO)cc2)C1.
What is the InChIKey of 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol?
The InChIKey is QHKNVHQIJUFHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-12-2-1-3-14(10-12)16-13-6-4-11(5-7-13)8-9-17/h4-7,12,14,16-17H,1-3,8-10,15H2.
What are the key properties of 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol?
2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol is sourced from PubChem (CID 79458778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).