[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine

C14H22N2 — CID 115311614

IUPAC[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESCc1cccc(CN2CCCC2CN)c1C
InChIInChI=1S/C14H22N2/c1-11-5-3-6-13(12(11)2)10-16-8-4-7-14(16)9-15/h3,5-6,14H,4,7-10,15H2,1-2H3
InChIKeyDVEYVMXXWHCZJB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.23
Rot. Bonds3

About [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine

[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115311614) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID115311614
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESCc1cccc(CN2CCCC2CN)c1C
InChIInChI=1S/C14H22N2/c1-11-5-3-6-13(12(11)2)10-16-8-4-7-14(16)9-15/h3,5-6,14H,4,7-10,15H2,1-2H3
InChIKeyDVEYVMXXWHCZJB-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285201
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
CID 80668518
2-(chloromethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
CID 63387327
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine
CID 11401773
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580367
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784
[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927229

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine (CID 115311614) is [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine is Cc1cccc(CN2CCCC2CN)c1C.
What is the InChIKey of [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is DVEYVMXXWHCZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-3-6-13(12(11)2)10-16-8-4-7-14(16)9-15/h3,5-6,14H,4,7-10,15H2,1-2H3.
What are the key properties of [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115311614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).