3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline

C12H18N2O — CID 75062155

IUPAC3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOc1cccc(NCC2CCCN2)c1
InChIInChI=1S/C12H18N2O/c1-15-12-6-2-4-10(8-12)14-9-11-5-3-7-13-11/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3
InChIKeyMGUVLNNQQPOZBC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.86
Rot. Bonds4

About 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline

3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 75062155) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID75062155
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOc1cccc(NCC2CCCN2)c1
InChIInChI=1S/C12H18N2O/c1-15-12-6-2-4-10(8-12)14-9-11-5-3-7-13-11/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3
InChIKeyMGUVLNNQQPOZBC-UHFFFAOYSA-N
XLogP1.86
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633639
methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
CID 106637935
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
3-fluoro-5-methoxy-N-(piperidin-2-ylmethyl)aniline
CID 114262758
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 106637585
3-methoxy-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833864
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106615533

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline (CID 75062155) is 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline is COc1cccc(NCC2CCCN2)c1.
What is the InChIKey of 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is MGUVLNNQQPOZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-6-2-4-10(8-12)14-9-11-5-3-7-13-11/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3.
What are the key properties of 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 206.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 75062155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).