N-[(3-methylpyrrolidin-1-yl)methyl]aniline

C12H18N2 — CID 68571056

IUPACN-[(3-methylpyrrolidin-1-yl)methyl]aniline
SMILESCC1CCN(CNc2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-11-7-8-14(9-11)10-13-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeySONRDHYLKKNUTF-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.40
Rot. Bonds3

About N-[(3-methylpyrrolidin-1-yl)methyl]aniline

N-[(3-methylpyrrolidin-1-yl)methyl]aniline (PubChem CID 68571056) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[(3-methylpyrrolidin-1-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(3-methylpyrrolidin-1-yl)methyl]aniline
PubChem CID68571056
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-[(3-methylpyrrolidin-1-yl)methyl]aniline
SMILESCC1CCN(CNc2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-11-7-8-14(9-11)10-13-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeySONRDHYLKKNUTF-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-1-benzyl-3-methylpyrrolidine;propane
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N-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 1118538
4-methyl-N-phenylpiperidin-1-amine
CID 10867153
3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
CID 142217258
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
1-benzyl-3-methylpiperidine
CID 2794856
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
CID 62497247
N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate
CID 142259991

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpyrrolidin-1-yl)methyl]aniline?
The IUPAC name of N-[(3-methylpyrrolidin-1-yl)methyl]aniline (CID 68571056) is N-[(3-methylpyrrolidin-1-yl)methyl]aniline.
What is the SMILES notation for N-[(3-methylpyrrolidin-1-yl)methyl]aniline?
The canonical SMILES for N-[(3-methylpyrrolidin-1-yl)methyl]aniline is CC1CCN(CNc2ccccc2)C1.
What is the InChIKey of N-[(3-methylpyrrolidin-1-yl)methyl]aniline?
The InChIKey is SONRDHYLKKNUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-7-8-14(9-11)10-13-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of N-[(3-methylpyrrolidin-1-yl)methyl]aniline?
N-[(3-methylpyrrolidin-1-yl)methyl]aniline has a molecular weight of 190.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpyrrolidin-1-yl)methyl]aniline is sourced from PubChem (CID 68571056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).