(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine

C19H32N4O — CID 99941836

IUPAC(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
SMILESCCN1CCN(CCOc2ccccc2CN2CC[C@H](N)C2)CC1
InChIInChI=1S/C19H32N4O/c1-2-21-9-11-22(12-10-21)13-14-24-19-6-4-3-5-17(19)15-23-8-7-18(20)16-23/h3-6,18H,2,7-16,20H2,1H3/t18-/m0/s1
InChIKeyWOPHXDSXEYPKLJ-SFHVURJKSA-N
MW332.49 g/mol
LogP1.24
Rot. Bonds7

About (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine

(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine (PubChem CID 99941836) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
PubChem CID99941836
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
SMILESCCN1CCN(CCOc2ccccc2CN2CC[C@H](N)C2)CC1
InChIInChI=1S/C19H32N4O/c1-2-21-9-11-22(12-10-21)13-14-24-19-6-4-3-5-17(19)15-23-8-7-18(20)16-23/h3-6,18H,2,7-16,20H2,1H3/t18-/m0/s1
InChIKeyWOPHXDSXEYPKLJ-SFHVURJKSA-N
XLogP1.24
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99927491
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
CID 2960969
1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 99930492
(1S,5S)-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74241524
1-(2-naphthalen-1-yloxyethyl)pyrrolidin-3-amine
CID 71151906
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
(3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one
CID 99930715

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine (CID 99941836) is (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine is CCN1CCN(CCOc2ccccc2CN2CC[C@H](N)C2)CC1.
What is the InChIKey of (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is WOPHXDSXEYPKLJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H32N4O/c1-2-21-9-11-22(12-10-21)13-14-24-19-6-4-3-5-17(19)15-23-8-7-18(20)16-23/h3-6,18H,2,7-16,20H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine?
(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 332.49 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 99941836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).