1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol

C18H28ClNO — CID 103966216

IUPAC1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
SMILESCC1(C)CC(NCC(O)c2ccccc2Cl)CC(C)(C)C1
InChIInChI=1S/C18H28ClNO/c1-17(2)9-13(10-18(3,4)12-17)20-11-16(21)14-7-5-6-8-15(14)19/h5-8,13,16,20-21H,9-12H2,1-4H3
InChIKeyOMTPDWIUYKDMPP-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.57
Rot. Bonds4

About 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol

1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol (PubChem CID 103966216) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
PubChem CID103966216
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
SMILESCC1(C)CC(NCC(O)c2ccccc2Cl)CC(C)(C)C1
InChIInChI=1S/C18H28ClNO/c1-17(2)9-13(10-18(3,4)12-17)20-11-16(21)14-7-5-6-8-15(14)19/h5-8,13,16,20-21H,9-12H2,1-4H3
InChIKeyOMTPDWIUYKDMPP-UHFFFAOYSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60910522
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1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
CID 60908981
1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol
CID 103921901
2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
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2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol
CID 60903108
1-(2-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 106360636
5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one
CID 63661920
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
1-(2-chlorophenyl)-2-[(2,6-dimethylpiperidin-1-yl)amino]ethanol
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1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol (CID 103966216) is 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol is CC1(C)CC(NCC(O)c2ccccc2Cl)CC(C)(C)C1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol?
The InChIKey is OMTPDWIUYKDMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-17(2)9-13(10-18(3,4)12-17)20-11-16(21)14-7-5-6-8-15(14)19/h5-8,13,16,20-21H,9-12H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol?
1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol has a molecular weight of 309.88 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol is sourced from PubChem (CID 103966216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).