1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol

C20H25NO — CID 3733589

IUPAC1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol
SMILESCN(c1ccccc1)C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C20H25NO/c1-21(18-13-7-3-8-14-18)19(17-11-5-2-6-12-17)20(22)15-9-4-10-16-20/h2-3,5-8,11-14,19,22H,4,9-10,15-16H2,1H3
InChIKeyHZYYWAFOZGOXKT-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.56
Rot. Bonds4

About 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol

1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol (PubChem CID 3733589) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol
PubChem CID3733589
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol
SMILESCN(c1ccccc1)C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C20H25NO/c1-21(18-13-7-3-8-14-18)19(17-11-5-2-6-12-17)20(22)15-9-4-10-16-20/h2-3,5-8,11-14,19,22H,4,9-10,15-16H2,1H3
InChIKeyHZYYWAFOZGOXKT-UHFFFAOYSA-N
XLogP4.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol (CID 3733589) is 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol is CN(c1ccccc1)C(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol?
The InChIKey is HZYYWAFOZGOXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-21(18-13-7-3-8-14-18)19(17-11-5-2-6-12-17)20(22)15-9-4-10-16-20/h2-3,5-8,11-14,19,22H,4,9-10,15-16H2,1H3.
What are the key properties of 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol?
1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(N-methylanilino)-phenylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 3733589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).