N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

C17H27NO — CID 115796924

IUPACN-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C1CCC(C)O1
InChIInChI=1S/C17H27NO/c1-5-8-18-17(16-7-6-14(4)19-16)15-10-12(2)9-13(3)11-15/h9-11,14,16-18H,5-8H2,1-4H3
InChIKeyMYCNEFHTBAZUOA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.91
Rot. Bonds5

About N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 115796924) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID115796924
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C1CCC(C)O1
InChIInChI=1S/C17H27NO/c1-5-8-18-17(16-7-6-14(4)19-16)15-10-12(2)9-13(3)11-15/h9-11,14,16-18H,5-8H2,1-4H3
InChIKeyMYCNEFHTBAZUOA-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 83045842
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988409
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115791948
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330623
N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 107515367
N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105027443
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
N-[(4,5-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330145
N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80626640
N-[(3-fluoro-4-pyridinyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105038262
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (CID 115796924) is N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(C)c1)C1CCC(C)O1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is MYCNEFHTBAZUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-8-18-17(16-7-6-14(4)19-16)15-10-12(2)9-13(3)11-15/h9-11,14,16-18H,5-8H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115796924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).