2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol

C18H24ClNO — CID 60903108

IUPAC2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol
SMILESOC(CNC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl
InChIInChI=1S/C18H24ClNO/c19-16-4-2-1-3-15(16)17(21)11-20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,17,20-21H,5-11H2
InChIKeyPDYJITXNLIATMQ-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.93
Rot. Bonds4

About 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol

2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol (PubChem CID 60903108) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol
PubChem CID60903108
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol
SMILESOC(CNC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl
InChIInChI=1S/C18H24ClNO/c19-16-4-2-1-3-15(16)17(21)11-20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,17,20-21H,5-11H2
InChIKeyPDYJITXNLIATMQ-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 7984944
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
CID 103966216
N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine
CID 4721689
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 60971864
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-(2-chlorophenyl)-2-[(3-ethoxycyclobutyl)amino]ethanol
CID 103917765
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108572
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol (CID 60903108) is 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol is OC(CNC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl.
What is the InChIKey of 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol?
The InChIKey is PDYJITXNLIATMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c19-16-4-2-1-3-15(16)17(21)11-20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,17,20-21H,5-11H2.
What are the key properties of 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol?
2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol has a molecular weight of 305.85 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 60903108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).