N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine

C16H25NO — CID 62719920

IUPACN-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccc(C)c2)CCOC1
InChIInChI=1S/C16H25NO/c1-3-8-17-12-16(7-9-18-13-16)11-15-6-4-5-14(2)10-15/h4-6,10,17H,3,7-9,11-13H2,1-2H3
InChIKeyHSSYNMDDXDJIQG-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.94
Rot. Bonds6

About N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine

N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62719920) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62719920
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccc(C)c2)CCOC1
InChIInChI=1S/C16H25NO/c1-3-8-17-12-16(7-9-18-13-16)11-15-6-4-5-14(2)10-15/h4-6,10,17H,3,7-9,11-13H2,1-2H3
InChIKeyHSSYNMDDXDJIQG-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
CID 62719007
2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718039
N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719558
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101
N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62997767
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 105374955
N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261568
2-methoxy-N-[[3-[(4-methylphenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62718692
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine (CID 62719920) is N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(Cc2cccc(C)c2)CCOC1.
What is the InChIKey of N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is HSSYNMDDXDJIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-8-17-12-16(7-9-18-13-16)11-15-6-4-5-14(2)10-15/h4-6,10,17H,3,7-9,11-13H2,1-2H3.
What are the key properties of N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62719920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).