(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol

C16H25NO — CID 78940236

IUPAC(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N(C)CC1CCCCC1
InChIInChI=1S/C16H25NO/c1-13(18)15-10-6-7-11-16(15)17(2)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyRMEPZLJBCXDZEP-ZDUSSCGKSA-N
MW247.38 g/mol
LogP3.76
Rot. Bonds4

About (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol

(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol (PubChem CID 78940236) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
PubChem CID78940236
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N(C)CC1CCCCC1
InChIInChI=1S/C16H25NO/c1-13(18)15-10-6-7-11-16(15)17(2)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyRMEPZLJBCXDZEP-ZDUSSCGKSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol (CID 78940236) is (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol is C[C@H](O)c1ccccc1N(C)CC1CCCCC1.
What is the InChIKey of (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol?
The InChIKey is RMEPZLJBCXDZEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(18)15-10-6-7-11-16(15)17(2)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol?
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 78940236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).