(1-phenyl-4-phenylmethoxycyclohexyl)methanamine

C20H25NO — CID 70297489

IUPAC(1-phenyl-4-phenylmethoxycyclohexyl)methanamine
SMILESNCC1(c2ccccc2)CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H25NO/c21-16-20(18-9-5-2-6-10-18)13-11-19(12-14-20)22-15-17-7-3-1-4-8-17/h1-10,19H,11-16,21H2
InChIKeyNQNYRAXPHJLHJR-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.04
Rot. Bonds5

About (1-phenyl-4-phenylmethoxycyclohexyl)methanamine

(1-phenyl-4-phenylmethoxycyclohexyl)methanamine (PubChem CID 70297489) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (1-phenyl-4-phenylmethoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(1-phenyl-4-phenylmethoxycyclohexyl)methanamine
PubChem CID70297489
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(1-phenyl-4-phenylmethoxycyclohexyl)methanamine
SMILESNCC1(c2ccccc2)CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H25NO/c21-16-20(18-9-5-2-6-10-18)13-11-19(12-14-20)22-15-17-7-3-1-4-8-17/h1-10,19H,11-16,21H2
InChIKeyNQNYRAXPHJLHJR-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-phenyl-4-phenylmethoxycyclohexyl)methanamine?
The IUPAC name of (1-phenyl-4-phenylmethoxycyclohexyl)methanamine (CID 70297489) is (1-phenyl-4-phenylmethoxycyclohexyl)methanamine.
What is the SMILES notation for (1-phenyl-4-phenylmethoxycyclohexyl)methanamine?
The canonical SMILES for (1-phenyl-4-phenylmethoxycyclohexyl)methanamine is NCC1(c2ccccc2)CCC(OCc2ccccc2)CC1.
What is the InChIKey of (1-phenyl-4-phenylmethoxycyclohexyl)methanamine?
The InChIKey is NQNYRAXPHJLHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c21-16-20(18-9-5-2-6-10-18)13-11-19(12-14-20)22-15-17-7-3-1-4-8-17/h1-10,19H,11-16,21H2.
What are the key properties of (1-phenyl-4-phenylmethoxycyclohexyl)methanamine?
(1-phenyl-4-phenylmethoxycyclohexyl)methanamine has a molecular weight of 295.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-4-phenylmethoxycyclohexyl)methanamine is sourced from PubChem (CID 70297489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).