2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine

C17H27NO — CID 2965330

IUPAC2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine
SMILESCc1ccc(C2(CCN)CCOC(C(C)C)C2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)16-12-17(8-10-18,9-11-19-16)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12,18H2,1-3H3
InChIKeyHPVXHZLIZADOQV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.42
Rot. Bonds4

About 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine

2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine (PubChem CID 2965330) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine
PubChem CID2965330
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine
SMILESCc1ccc(C2(CCN)CCOC(C(C)C)C2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)16-12-17(8-10-18,9-11-19-16)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12,18H2,1-3H3
InChIKeyHPVXHZLIZADOQV-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)-5-phenethyltetrahydrofuran
CID 11506691
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(4-(4-Fluorophenyl)oxan-4-yl)methanamine
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(4-(3-Fluorophenyl)oxan-4-yl)methanamine
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2-(4-benzyl-2-isopropyltetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
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2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 3132830
2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethanamine
CID 2772142
2-[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]ethanamine
CID 2835263
3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-3-(4-fluoro-phenyl)-propylamine
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CID 69089363
US11214540, Example 57
CID 155139004

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The IUPAC name of 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine (CID 2965330) is 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine is Cc1ccc(C2(CCN)CCOC(C(C)C)C2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The InChIKey is HPVXHZLIZADOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)16-12-17(8-10-18,9-11-19-16)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12,18H2,1-3H3.
What are the key properties of 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine is sourced from PubChem (CID 2965330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).