[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol

C15H22ClNO — CID 28945722

IUPAC[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
SMILESCCN(c1cccc(Cl)c1CO)C1CCCCC1
InChIInChI=1S/C15H22ClNO/c1-2-17(12-7-4-3-5-8-12)15-10-6-9-14(16)13(15)11-18/h6,9-10,12,18H,2-5,7-8,11H2,1H3
InChIKeyZBLASRUKNTWGTQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.99
Rot. Bonds4

About [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol

[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol (PubChem CID 28945722) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
PubChem CID28945722
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
SMILESCCN(c1cccc(Cl)c1CO)C1CCCCC1
InChIInChI=1S/C15H22ClNO/c1-2-17(12-7-4-3-5-8-12)15-10-6-9-14(16)13(15)11-18/h6,9-10,12,18H,2-5,7-8,11H2,1H3
InChIKeyZBLASRUKNTWGTQ-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103958535
[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
CID 61431905
2-[cyclohexyl(ethyl)amino]benzenecarbothioamide
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[2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol?
The IUPAC name of [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol (CID 28945722) is [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol is CCN(c1cccc(Cl)c1CO)C1CCCCC1.
What is the InChIKey of [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol?
The InChIKey is ZBLASRUKNTWGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-17(12-7-4-3-5-8-12)15-10-6-9-14(16)13(15)11-18/h6,9-10,12,18H,2-5,7-8,11H2,1H3.
What are the key properties of [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol?
[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol is sourced from PubChem (CID 28945722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).