2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol

C19H31NO — CID 63495843

IUPAC2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC)c2ccccc2C)C1
InChIInChI=1S/C19H31NO/c1-4-8-16-11-12-19(21)17(13-16)14-20(5-2)18-10-7-6-9-15(18)3/h6-7,9-10,16-17,19,21H,4-5,8,11-14H2,1-3H3
InChIKeyVXANECQGZWFJAN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.40
Rot. Bonds6

About 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol

2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol (PubChem CID 63495843) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol
PubChem CID63495843
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC)c2ccccc2C)C1
InChIInChI=1S/C19H31NO/c1-4-8-16-11-12-19(21)17(13-16)14-20(5-2)18-10-7-6-9-15(18)3/h6-7,9-10,16-17,19,21H,4-5,8,11-14H2,1-3H3
InChIKeyVXANECQGZWFJAN-UHFFFAOYSA-N
XLogP4.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol (CID 63495843) is 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(CC)c2ccccc2C)C1.
What is the InChIKey of 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is VXANECQGZWFJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-8-16-11-12-19(21)17(13-16)14-20(5-2)18-10-7-6-9-15(18)3/h6-7,9-10,16-17,19,21H,4-5,8,11-14H2,1-3H3.
What are the key properties of 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol?
2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 63495843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).