(2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine

C16H25NO2 — CID 80684429

IUPAC(2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)C2(C)CCCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-3-11-18-14-8-6-13(7-9-14)15(17)16(2)10-4-5-12-19-16/h6-9,15H,3-5,10-12,17H2,1-2H3
InChIKeyDPRKWCPXOODIFB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.43
Rot. Bonds5

About (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine

(2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine (PubChem CID 80684429) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine
PubChem CID80684429
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)C2(C)CCCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-3-11-18-14-8-6-13(7-9-14)15(17)16(2)10-4-5-12-19-16/h6-9,15H,3-5,10-12,17H2,1-2H3
InChIKeyDPRKWCPXOODIFB-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-propoxyphenyl)oxan-2-yl]silane
CID 123149147
N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine
CID 106830052
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 80683782
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 80683608
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine (CID 80684429) is (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)C2(C)CCCCO2)cc1.
What is the InChIKey of (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine?
The InChIKey is DPRKWCPXOODIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-11-18-14-8-6-13(7-9-14)15(17)16(2)10-4-5-12-19-16/h6-9,15H,3-5,10-12,17H2,1-2H3.
What are the key properties of (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine?
(2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 80684429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).