2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine

C17H27NO2 — CID 115563628

IUPAC2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
SMILESCCCOc1ccc(CNC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-4-10-19-16-7-5-14(6-8-16)13-18-15-9-11-20-17(2,3)12-15/h5-8,15,18H,4,9-13H2,1-3H3
InChIKeyCSLJVXBTHOFMNX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.52
Rot. Bonds6

About 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine

2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine (PubChem CID 115563628) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
PubChem CID115563628
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
SMILESCCCOc1ccc(CNC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-4-10-19-16-7-5-14(6-8-16)13-18-15-9-11-20-17(2,3)12-15/h5-8,15,18H,4,9-13H2,1-3H3
InChIKeyCSLJVXBTHOFMNX-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
CID 115563782
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563685
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
N-[(4-butoxyphenyl)methyl]-3,3-difluorocyclobutan-1-amine
CID 167311863
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 83032603
1-[(2,2-dimethyloxan-4-yl)amino]-3-phenoxypropan-2-ol
CID 13202185

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine (CID 115563628) is 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine is CCCOc1ccc(CNC2CCOC(C)(C)C2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine?
The InChIKey is CSLJVXBTHOFMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-10-19-16-7-5-14(6-8-16)13-18-15-9-11-20-17(2,3)12-15/h5-8,15,18H,4,9-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine?
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 115563628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).