N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine

C14H22N2O — CID 54949814

IUPACN-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCOc1ccc(C(C)NC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15-13-8-9-16(2)10-13)12-4-6-14(17-3)7-5-12/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyRSDWWGYIGVLJDG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine

N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 54949814) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID54949814
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCOc1ccc(C(C)NC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15-13-8-9-16(2)10-13)12-4-6-14(17-3)7-5-12/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyRSDWWGYIGVLJDG-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
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-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81333341
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-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate
CID 97231311
1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine
CID 86793716
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine (CID 54949814) is N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine is COc1ccc(C(C)NC2CCN(C)C2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is RSDWWGYIGVLJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15-13-8-9-16(2)10-13)12-4-6-14(17-3)7-5-12/h4-7,11,13,15H,8-10H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine?
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 54949814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).