4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine

C14H22N2 — CID 103575368

IUPAC4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc(C(C)N2CC(C)C(N)C2)cc1
InChIInChI=1S/C14H22N2/c1-10-4-6-13(7-5-10)12(3)16-8-11(2)14(15)9-16/h4-7,11-12,14H,8-9,15H2,1-3H3
InChIKeyILEUFZISSKIFNV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.34
Rot. Bonds2

About 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine

4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 103575368) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID103575368
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc(C(C)N2CC(C)C(N)C2)cc1
InChIInChI=1S/C14H22N2/c1-10-4-6-13(7-5-10)12(3)16-8-11(2)14(15)9-16/h4-7,11-12,14H,8-9,15H2,1-3H3
InChIKeyILEUFZISSKIFNV-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 103575456
1-[1-(furan-3-yl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575621
4-methyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 103575296
1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575101
4-methyl-1-[1-(4-methyl-3-nitrophenyl)ethyl]pyrrolidin-3-amine
CID 103575508
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925286
1-[1-(4-methylphenyl)ethyl]azetidine-3-carboxylic acid
CID 65071734
1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575099
1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 54975955
4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 103575451
3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 79880151
1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575182

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine (CID 103575368) is 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine is Cc1ccc(C(C)N2CC(C)C(N)C2)cc1.
What is the InChIKey of 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is ILEUFZISSKIFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-4-6-13(7-5-10)12(3)16-8-11(2)14(15)9-16/h4-7,11-12,14H,8-9,15H2,1-3H3.
What are the key properties of 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103575368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).