(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine

C12H18N2O — CID 82283349

IUPAC(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine
SMILESCOc1ccccc1C(N)C1CCCN1
InChIInChI=1S/C12H18N2O/c1-15-11-7-3-2-5-9(11)12(13)10-6-4-8-14-10/h2-3,5,7,10,12,14H,4,6,8,13H2,1H3
InChIKeyWZVFJWYSQHFKPB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.45
Rot. Bonds3

About (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine

(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine (PubChem CID 82283349) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine
PubChem CID82283349
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine
SMILESCOc1ccccc1C(N)C1CCCN1
InChIInChI=1S/C12H18N2O/c1-15-11-7-3-2-5-9(11)12(13)10-6-4-8-14-10/h2-3,5,7,10,12,14H,4,6,8,13H2,1H3
InChIKeyWZVFJWYSQHFKPB-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82291674
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine
CID 82299044
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
[2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine
CID 67366481
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
CID 95446450
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine
CID 116935748
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine?
The IUPAC name of (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine (CID 82283349) is (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine?
The canonical SMILES for (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine is COc1ccccc1C(N)C1CCCN1.
What is the InChIKey of (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine?
The InChIKey is WZVFJWYSQHFKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-11-7-3-2-5-9(11)12(13)10-6-4-8-14-10/h2-3,5,7,10,12,14H,4,6,8,13H2,1H3.
What are the key properties of (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine?
(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 82283349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).