1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine

C14H22N2 — CID 16643538

IUPAC1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(N)CN2CCCC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-5-6-13(12(2)9-11)14(15)10-16-7-3-4-8-16/h5-6,9,14H,3-4,7-8,10,15H2,1-2H3
InChIKeyZZAOBHLAEZKSFC-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.40
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine

1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 16643538) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID16643538
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(N)CN2CCCC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-5-6-13(12(2)9-11)14(15)10-16-7-3-4-8-16/h5-6,9,14H,3-4,7-8,10,15H2,1-2H3
InChIKeyZZAOBHLAEZKSFC-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 82295585
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 79937953
1-(2,4-dimethylphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882552
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
CID 43098495
1-(2,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562608
1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464731
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine (CID 16643538) is 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine is Cc1ccc(C(N)CN2CCCC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is ZZAOBHLAEZKSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-6-13(12(2)9-11)14(15)10-16-7-3-4-8-16/h5-6,9,14H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine?
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 218.34 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 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 16643538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).