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

C15H24N2 — CID 103975682

IUPAC1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCc1cccc(CN2CCC(C(C)N)C2)c1C
InChIInChI=1S/C15H24N2/c1-11-5-4-6-14(12(11)2)9-17-8-7-15(10-17)13(3)16/h4-6,13,15H,7-10,16H2,1-3H3
InChIKeyZFEKOWXRNGNBGA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.47
Rot. Bonds3

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

1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975682) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975682
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCc1cccc(CN2CCC(C(C)N)C2)c1C
InChIInChI=1S/C15H24N2/c1-11-5-4-6-14(12(11)2)9-17-8-7-15(10-17)13(3)16/h4-6,13,15H,7-10,16H2,1-3H3
InChIKeyZFEKOWXRNGNBGA-UHFFFAOYSA-N
XLogP2.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
1-[1-[[2-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975618
1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843370
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 104869878
1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975773
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120841087
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781919
1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine (CID 103975682) is 1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine is Cc1cccc(CN2CCC(C(C)N)C2)c1C.
What is the InChIKey of 1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is ZFEKOWXRNGNBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-5-4-6-14(12(11)2)9-17-8-7-15(10-17)13(3)16/h4-6,13,15H,7-10,16H2,1-3H3.
What are the key properties of 1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).