N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine

C14H22N2O — CID 82733742

IUPACN-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine
SMILESCc1ccc(CN)c(N(C)C2CCOC2C)c1
InChIInChI=1S/C14H22N2O/c1-10-4-5-12(9-15)14(8-10)16(3)13-6-7-17-11(13)2/h4-5,8,11,13H,6-7,9,15H2,1-3H3
InChIKeyBDCPYJXYIVUTSR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.07
Rot. Bonds3

About N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine

N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82733742) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine
PubChem CID82733742
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine
SMILESCc1ccc(CN)c(N(C)C2CCOC2C)c1
InChIInChI=1S/C14H22N2O/c1-10-4-5-12(9-15)14(8-10)16(3)13-6-7-17-11(13)2/h4-5,8,11,13H,6-7,9,15H2,1-3H3
InChIKeyBDCPYJXYIVUTSR-UHFFFAOYSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine (CID 82733742) is N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine is Cc1ccc(CN)c(N(C)C2CCOC2C)c1.
What is the InChIKey of N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is BDCPYJXYIVUTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-5-12(9-15)14(8-10)16(3)13-6-7-17-11(13)2/h4-5,8,11,13H,6-7,9,15H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine?
N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82733742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).