3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine

C12H18N2O — CID 65378588

IUPAC3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
SMILESCc1ccc(NC2(CN)CCOC2)cc1
InChIInChI=1S/C12H18N2O/c1-10-2-4-11(5-3-10)14-12(8-13)6-7-15-9-12/h2-5,14H,6-9,13H2,1H3
InChIKeyAQKZWGCZPCUHRX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds3

About 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine

3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine (PubChem CID 65378588) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
PubChem CID65378588
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
SMILESCc1ccc(NC2(CN)CCOC2)cc1
InChIInChI=1S/C12H18N2O/c1-10-2-4-11(5-3-10)14-12(8-13)6-7-15-9-12/h2-5,14H,6-9,13H2,1H3
InChIKeyAQKZWGCZPCUHRX-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
CID 65377574
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
4-(aminomethyl)-N-(4-methylphenyl)thian-4-amine
CID 65378804
4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
CID 65379219
4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
CID 65376671
8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine
CID 114818195
4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
CID 65376917
4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine
CID 106298388
3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine
CID 105474886
4-(aminomethyl)-N-(4-chlorophenyl)oxepan-4-amine
CID 65383827
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
CID 107573137
3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
CID 105479234

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine (CID 65378588) is 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine is Cc1ccc(NC2(CN)CCOC2)cc1.
What is the InChIKey of 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine?
The InChIKey is AQKZWGCZPCUHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-2-4-11(5-3-10)14-12(8-13)6-7-15-9-12/h2-5,14H,6-9,13H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine?
3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 65378588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).