(1-methoxy-2-phenylcyclohexyl)methanamine

C14H21NO — CID 105403899

IUPAC(1-methoxy-2-phenylcyclohexyl)methanamine
SMILESCOC1(CN)CCCCC1c1ccccc1
InChIInChI=1S/C14H21NO/c1-16-14(11-15)10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,15H2,1H3
InChIKeyDJNHXCAKGFIWQC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.69
Rot. Bonds3

About (1-methoxy-2-phenylcyclohexyl)methanamine

(1-methoxy-2-phenylcyclohexyl)methanamine (PubChem CID 105403899) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1-methoxy-2-phenylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-methoxy-2-phenylcyclohexyl)methanamine
PubChem CID105403899
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1-methoxy-2-phenylcyclohexyl)methanamine
SMILESCOC1(CN)CCCCC1c1ccccc1
InChIInChI=1S/C14H21NO/c1-16-14(11-15)10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,15H2,1H3
InChIKeyDJNHXCAKGFIWQC-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-phenylcyclohexyl)methanamine?
The IUPAC name of (1-methoxy-2-phenylcyclohexyl)methanamine (CID 105403899) is (1-methoxy-2-phenylcyclohexyl)methanamine.
What is the SMILES notation for (1-methoxy-2-phenylcyclohexyl)methanamine?
The canonical SMILES for (1-methoxy-2-phenylcyclohexyl)methanamine is COC1(CN)CCCCC1c1ccccc1.
What is the InChIKey of (1-methoxy-2-phenylcyclohexyl)methanamine?
The InChIKey is DJNHXCAKGFIWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-16-14(11-15)10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,15H2,1H3.
What are the key properties of (1-methoxy-2-phenylcyclohexyl)methanamine?
(1-methoxy-2-phenylcyclohexyl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-phenylcyclohexyl)methanamine is sourced from PubChem (CID 105403899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).