[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine

C19H31NO — CID 65052864

IUPAC[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCCc1ccc(COC2(CN)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H31NO/c1-4-16-5-7-17(8-6-16)13-21-19(14-20)11-9-18(10-12-19)15(2)3/h5-8,15,18H,4,9-14,20H2,1-3H3
InChIKeySDGRMYFQVFUKSO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.31
Rot. Bonds6

About [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine

[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 65052864) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID65052864
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCCc1ccc(COC2(CN)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H31NO/c1-4-16-5-7-17(8-6-16)13-21-19(14-20)11-9-18(10-12-19)15(2)3/h5-8,15,18H,4,9-14,20H2,1-3H3
InChIKeySDGRMYFQVFUKSO-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine (CID 65052864) is [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine is CCc1ccc(COC2(CN)CCC(C(C)C)CC2)cc1.
What is the InChIKey of [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is SDGRMYFQVFUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-16-5-7-17(8-6-16)13-21-19(14-20)11-9-18(10-12-19)15(2)3/h5-8,15,18H,4,9-14,20H2,1-3H3.
What are the key properties of [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 289.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 65052864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).