[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine

C12H18N2O — CID 117052585

IUPAC[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
SMILESCN1CCC(Oc2ccc(CN)cc2)C1
InChIInChI=1S/C12H18N2O/c1-14-7-6-12(9-14)15-11-4-2-10(8-13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyBGPPKRWPWGNMQZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.23
Rot. Bonds3

About [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine

[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine (PubChem CID 117052585) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
PubChem CID117052585
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
SMILESCN1CCC(Oc2ccc(CN)cc2)C1
InChIInChI=1S/C12H18N2O/c1-14-7-6-12(9-14)15-11-4-2-10(8-13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyBGPPKRWPWGNMQZ-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 140799111
CID 140799111
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
CID 176937832
3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
CID 176937704
3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine
CID 117095267
[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
CID 84674541
5-(1-methylpyrrolidin-3-yl)oxypyridin-2-amine
CID 130834078
1-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117408226
3-[3-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine
CID 137435425
4-(1-methylpyrrolidin-3-yl)oxyaniline;2,2,2-trifluoroacetic acid
CID 86761110
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
CID 99971373

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine?
The IUPAC name of [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine (CID 117052585) is [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine.
What is the SMILES notation for [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine?
The canonical SMILES for [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine is CN1CCC(Oc2ccc(CN)cc2)C1.
What is the InChIKey of [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine?
The InChIKey is BGPPKRWPWGNMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-6-12(9-14)15-11-4-2-10(8-13)3-5-11/h2-5,12H,6-9,13H2,1H3.
What are the key properties of [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine?
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine is sourced from PubChem (CID 117052585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).