1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine

C14H22N2O — CID 117052228

IUPAC1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15)13-3-5-14(6-4-13)17-10-12-7-8-16(2)9-12/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyRHEHXSROZDZOBS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine

1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine (PubChem CID 117052228) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
PubChem CID117052228
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15)13-3-5-14(6-4-13)17-10-12-7-8-16(2)9-12/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyRHEHXSROZDZOBS-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
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4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
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1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
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4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236717
[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
CID 84674541
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 78936852
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
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CID 63973650

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine (CID 117052228) is 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine is CC(N)c1ccc(OCC2CCN(C)C2)cc1.
What is the InChIKey of 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is RHEHXSROZDZOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15)13-3-5-14(6-4-13)17-10-12-7-8-16(2)9-12/h3-6,11-12H,7-10,15H2,1-2H3.
What are the key properties of 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine?
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 117052228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).