(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol

C16H25NO — CID 63371082

IUPAC(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)C2CCCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(18)14-9-11-16(12-10-14)17(2)15-7-5-3-4-6-8-15/h9-13,15,18H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyUMVJHUBQKPCLDW-ZDUSSCGKSA-N
MW247.38 g/mol
LogP3.90
Rot. Bonds3

About (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol

(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol (PubChem CID 63371082) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol
PubChem CID63371082
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)C2CCCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(18)14-9-11-16(12-10-14)17(2)15-7-5-3-4-6-8-15/h9-13,15,18H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyUMVJHUBQKPCLDW-ZDUSSCGKSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol (CID 63371082) is (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol is C[C@H](O)c1ccc(N(C)C2CCCCCC2)cc1.
What is the InChIKey of (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol?
The InChIKey is UMVJHUBQKPCLDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(18)14-9-11-16(12-10-14)17(2)15-7-5-3-4-6-8-15/h9-13,15,18H,3-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol?
(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 63371082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).