[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine

C17H27NO — CID 106826782

IUPAC[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine
SMILESCOCCc1ccc(C(N)C2(C)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-17(11-4-3-5-12-17)16(18)15-8-6-14(7-9-15)10-13-19-2/h6-9,16H,3-5,10-13,18H2,1-2H3
InChIKeyIFXCSCNXANPYFZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds5

About [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine

[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine (PubChem CID 106826782) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine
PubChem CID106826782
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine
SMILESCOCCc1ccc(C(N)C2(C)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-17(11-4-3-5-12-17)16(18)15-8-6-14(7-9-15)10-13-19-2/h6-9,16H,3-5,10-13,18H2,1-2H3
InChIKeyIFXCSCNXANPYFZ-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine?
The IUPAC name of [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine (CID 106826782) is [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine?
The canonical SMILES for [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine is COCCc1ccc(C(N)C2(C)CCCCC2)cc1.
What is the InChIKey of [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine?
The InChIKey is IFXCSCNXANPYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(11-4-3-5-12-17)16(18)15-8-6-14(7-9-15)10-13-19-2/h6-9,16H,3-5,10-13,18H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine?
[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106826782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).