3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine

C14H22N2O2 — CID 63335498

IUPAC3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
SMILESCOc1cccc(CN(C)C2(CN)CCOC2)c1
InChIInChI=1S/C14H22N2O2/c1-16(14(10-15)6-7-18-11-14)9-12-4-3-5-13(8-12)17-2/h3-5,8H,6-7,9-11,15H2,1-2H3
InChIKeyJPDZWBKIFVPBPI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.24
Rot. Bonds5

About 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine

3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine (PubChem CID 63335498) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
PubChem CID63335498
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
SMILESCOc1cccc(CN(C)C2(CN)CCOC2)c1
InChIInChI=1S/C14H22N2O2/c1-16(14(10-15)6-7-18-11-14)9-12-4-3-5-13(8-12)17-2/h3-5,8H,6-7,9-11,15H2,1-2H3
InChIKeyJPDZWBKIFVPBPI-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61420272
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
CID 63335444
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde
CID 62277796
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
CID 63335335
N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
CID 106661172
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine (CID 63335498) is 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine is COc1cccc(CN(C)C2(CN)CCOC2)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine?
The InChIKey is JPDZWBKIFVPBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(14(10-15)6-7-18-11-14)9-12-4-3-5-13(8-12)17-2/h3-5,8H,6-7,9-11,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine?
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine has a molecular weight of 250.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 63335498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).