2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline

C14H23N3 — CID 115550464

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline
SMILESCc1cccc(N)c1N1CCCC1CN(C)C
InChIInChI=1S/C14H23N3/c1-11-6-4-8-13(15)14(11)17-9-5-7-12(17)10-16(2)3/h4,6,8,12H,5,7,9-10,15H2,1-3H3
InChIKeyABYRXIBCQRXVBV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.11
Rot. Bonds3

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline (PubChem CID 115550464) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline
PubChem CID115550464
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline
SMILESCc1cccc(N)c1N1CCCC1CN(C)C
InChIInChI=1S/C14H23N3/c1-11-6-4-8-13(15)14(11)17-9-5-7-12(17)10-16(2)3/h4,6,8,12H,5,7,9-10,15H2,1-3H3
InChIKeyABYRXIBCQRXVBV-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114067818
[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine
CID 107105560
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
CID 63330937
1-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80635655
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 80824837
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 82796247
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 62889981
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethoxypyridin-3-amine
CID 62885391
(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368980
2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
CID 107274456
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 102822897

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline (CID 115550464) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline is Cc1cccc(N)c1N1CCCC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline?
The InChIKey is ABYRXIBCQRXVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-6-4-8-13(15)14(11)17-9-5-7-12(17)10-16(2)3/h4,6,8,12H,5,7,9-10,15H2,1-3H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline has a molecular weight of 233.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline is sourced from PubChem (CID 115550464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).