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

C14H22N2 — CID 61461431

IUPAC1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc(C(C)NC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2/c1-11-4-6-13(7-5-11)12(2)15-14-8-9-16(3)10-14/h4-7,12,14-15H,8-10H2,1-3H3
InChIKeyVBEXGHXTGDKSMN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.35
Rot. Bonds3

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

1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 61461431) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID61461431
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc(C(C)NC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2/c1-11-4-6-13(7-5-11)12(2)15-14-8-9-16(3)10-14/h4-7,12,14-15H,8-10H2,1-3H3
InChIKeyVBEXGHXTGDKSMN-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine (CID 61461431) is 1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine is Cc1ccc(C(C)NC2CCN(C)C2)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is VBEXGHXTGDKSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-4-6-13(7-5-11)12(2)15-14-8-9-16(3)10-14/h4-7,12,14-15H,8-10H2,1-3H3.
What are the key properties of 1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 61461431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).