2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol

C23H37NO — CID 20571919

IUPAC2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol
SMILESCN(CC1CCCCC1)C1(C)CCCCCC1(C)c1ccccc1O
InChIInChI=1S/C23H37NO/c1-22(20-14-8-9-15-21(20)25)16-10-5-11-17-23(22,2)24(3)18-19-12-6-4-7-13-19/h8-9,14-15,19,25H,4-7,10-13,16-18H2,1-3H3
InChIKeyQMSKHCFTRXIUBF-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.88
Rot. Bonds4

About 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol

2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol (PubChem CID 20571919) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol.

Molecular Properties

Compound Name2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol
PubChem CID20571919
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol
SMILESCN(CC1CCCCC1)C1(C)CCCCCC1(C)c1ccccc1O
InChIInChI=1S/C23H37NO/c1-22(20-14-8-9-15-21(20)25)16-10-5-11-17-23(22,2)24(3)18-19-12-6-4-7-13-19/h8-9,14-15,19,25H,4-7,10-13,16-18H2,1-3H3
InChIKeyQMSKHCFTRXIUBF-UHFFFAOYSA-N
XLogP5.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol?
The IUPAC name of 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol (CID 20571919) is 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol.
What is the SMILES notation for 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol?
The canonical SMILES for 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol is CN(CC1CCCCC1)C1(C)CCCCCC1(C)c1ccccc1O.
What is the InChIKey of 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol?
The InChIKey is QMSKHCFTRXIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO/c1-22(20-14-8-9-15-21(20)25)16-10-5-11-17-23(22,2)24(3)18-19-12-6-4-7-13-19/h8-9,14-15,19,25H,4-7,10-13,16-18H2,1-3H3.
What are the key properties of 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol?
2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol has a molecular weight of 343.56 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol is sourced from PubChem (CID 20571919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).