4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride

C14H22ClNO2 — CID 45038987

IUPAC4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
SMILESCl.NCC(c1ccc(O)cc1)C1(O)CCCCC1
InChIInChI=1S/C14H21NO2.ClH/c15-10-13(11-4-6-12(16)7-5-11)14(17)8-2-1-3-9-14;/h4-7,13,16-17H,1-3,8-10,15H2;1H
InChIKeyCJNMZHKSKAPHPA-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.55
Rot. Bonds3

About 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride

4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride (PubChem CID 45038987) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
PubChem CID45038987
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
SMILESCl.NCC(c1ccc(O)cc1)C1(O)CCCCC1
InChIInChI=1S/C14H21NO2.ClH/c15-10-13(11-4-6-12(16)7-5-11)14(17)8-2-1-3-9-14;/h4-7,13,16-17H,1-3,8-10,15H2;1H
InChIKeyCJNMZHKSKAPHPA-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
The IUPAC name of 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride (CID 45038987) is 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
The canonical SMILES for 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride is Cl.NCC(c1ccc(O)cc1)C1(O)CCCCC1.
What is the InChIKey of 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
The InChIKey is CJNMZHKSKAPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c15-10-13(11-4-6-12(16)7-5-11)14(17)8-2-1-3-9-14;/h4-7,13,16-17H,1-3,8-10,15H2;1H.
What are the key properties of 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride is sourced from PubChem (CID 45038987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).