N-(2-methoxy-4-methylphenyl)cycloheptanamine

C15H23NO — CID 54865924

IUPACN-(2-methoxy-4-methylphenyl)cycloheptanamine
SMILESCOc1cc(C)ccc1NC1CCCCCC1
InChIInChI=1S/C15H23NO/c1-12-9-10-14(15(11-12)17-2)16-13-7-5-3-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3
InChIKeyVQWMVQXPNPWHBK-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.14
Rot. Bonds3

About N-(2-methoxy-4-methylphenyl)cycloheptanamine

N-(2-methoxy-4-methylphenyl)cycloheptanamine (PubChem CID 54865924) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)cycloheptanamine
PubChem CID54865924
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(2-methoxy-4-methylphenyl)cycloheptanamine
SMILESCOc1cc(C)ccc1NC1CCCCCC1
InChIInChI=1S/C15H23NO/c1-12-9-10-14(15(11-12)17-2)16-13-7-5-3-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3
InChIKeyVQWMVQXPNPWHBK-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)cycloheptanamine?
The IUPAC name of N-(2-methoxy-4-methylphenyl)cycloheptanamine (CID 54865924) is N-(2-methoxy-4-methylphenyl)cycloheptanamine.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)cycloheptanamine?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)cycloheptanamine is COc1cc(C)ccc1NC1CCCCCC1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)cycloheptanamine?
The InChIKey is VQWMVQXPNPWHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-9-10-14(15(11-12)17-2)16-13-7-5-3-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxy-4-methylphenyl)cycloheptanamine?
N-(2-methoxy-4-methylphenyl)cycloheptanamine has a molecular weight of 233.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)cycloheptanamine is sourced from PubChem (CID 54865924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).