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

C16H25NO — CID 65328759

IUPACN-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C1CCCO1
InChIInChI=1S/C16H25NO/c1-4-7-17-16(15-6-5-8-18-15)14-10-12(2)9-13(3)11-14/h9-11,15-17H,4-8H2,1-3H3
InChIKeyYCDZRDCETVPKMS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.52
Rot. Bonds5

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

N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 65328759) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
PubChem CID65328759
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C1CCCO1
InChIInChI=1S/C16H25NO/c1-4-7-17-16(15-6-5-8-18-15)14-10-12(2)9-13(3)11-14/h9-11,15-17H,4-8H2,1-3H3
InChIKeyYCDZRDCETVPKMS-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62213881
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115796924
N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
CID 43495861
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine (CID 65328759) is N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(C)c1)C1CCCO1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is YCDZRDCETVPKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-7-17-16(15-6-5-8-18-15)14-10-12(2)9-13(3)11-14/h9-11,15-17H,4-8H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.52, 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)-(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65328759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).