3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine

C17H27NO — CID 106469556

IUPAC3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H27NO/c1-4-8-18-17-7-9-19-12-16(17)11-15-6-5-13(2)14(3)10-15/h5-6,10,16-18H,4,7-9,11-12H2,1-3H3
InChIKeyKJLJSUYMFXBKAU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.25
Rot. Bonds5

About 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine

3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine (PubChem CID 106469556) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine
PubChem CID106469556
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H27NO/c1-4-8-18-17-7-9-19-12-16(17)11-15-6-5-13(2)14(3)10-15/h5-6,10,16-18H,4,7-9,11-12H2,1-3H3
InChIKeyKJLJSUYMFXBKAU-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-3-ylmethyl)-N-propyloxan-4-amine
CID 106469611
N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine
CID 106469570
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 54978274
3-hexyl-N-propyloxan-4-amine
CID 106469429
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469561
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine
CID 106469582
N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
CID 71634426
(3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
CID 97176373
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine
CID 106469534

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine (CID 106469556) is 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1Cc1ccc(C)c(C)c1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine?
The InChIKey is KJLJSUYMFXBKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-8-18-17-7-9-19-12-16(17)11-15-6-5-13(2)14(3)10-15/h5-6,10,16-18H,4,7-9,11-12H2,1-3H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine?
3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 106469556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).