(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine

C17H25NO2 — CID 62798687

IUPAC(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine
SMILESNC(c1ccc(C2CCCCC2)cc1)C1COCCO1
InChIInChI=1S/C17H25NO2/c18-17(16-12-19-10-11-20-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,16-17H,1-5,10-12,18H2
InChIKeySEKLDBJGNNPNER-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.15
Rot. Bonds3

About (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine

(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine (PubChem CID 62798687) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine
PubChem CID62798687
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine
SMILESNC(c1ccc(C2CCCCC2)cc1)C1COCCO1
InChIInChI=1S/C17H25NO2/c18-17(16-12-19-10-11-20-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,16-17H,1-5,10-12,18H2
InChIKeySEKLDBJGNNPNER-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine?
The IUPAC name of (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine (CID 62798687) is (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine.
What is the SMILES notation for (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine?
The canonical SMILES for (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine is NC(c1ccc(C2CCCCC2)cc1)C1COCCO1.
What is the InChIKey of (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine?
The InChIKey is SEKLDBJGNNPNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c18-17(16-12-19-10-11-20-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,16-17H,1-5,10-12,18H2.
What are the key properties of (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine?
(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine is sourced from PubChem (CID 62798687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).