(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine

C17H27N3O2 — CID 99927491

IUPAC(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2ccccc2OCCN2CCOCC2)C1
InChIInChI=1S/C17H27N3O2/c18-16-5-6-20(14-16)13-15-3-1-2-4-17(15)22-12-9-19-7-10-21-11-8-19/h1-4,16H,5-14,18H2/t16-/m0/s1
InChIKeyBRFRDPZJWVVEJV-INIZCTEOSA-N
MW305.42 g/mol
LogP0.93
Rot. Bonds6

About (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine

(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 99927491) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine
PubChem CID99927491
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2ccccc2OCCN2CCOCC2)C1
InChIInChI=1S/C17H27N3O2/c18-16-5-6-20(14-16)13-15-3-1-2-4-17(15)22-12-9-19-7-10-21-11-8-19/h1-4,16H,5-14,18H2/t16-/m0/s1
InChIKeyBRFRDPZJWVVEJV-INIZCTEOSA-N
XLogP0.93
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
CID 99941836
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
(2S)-2-methyl-4-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,4-oxazepane
CID 99945435
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865223
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydro-1H-imidazol-2-amine
CID 67704074
(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134699713
1-(2-naphthalen-1-yloxyethyl)pyrrolidin-3-amine
CID 71151906
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine (CID 99927491) is (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine is N[C@H]1CCN(Cc2ccccc2OCCN2CCOCC2)C1.
What is the InChIKey of (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is BRFRDPZJWVVEJV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O2/c18-16-5-6-20(14-16)13-15-3-1-2-4-17(15)22-12-9-19-7-10-21-11-8-19/h1-4,16H,5-14,18H2/t16-/m0/s1.
What are the key properties of (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine?
(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 305.42 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 99927491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).