2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine

C14H23ClN2O2 — CID 171625093

IUPAC2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine
SMILESCN.OCCOc1ccc(Cl)cc1CN1CCCC1
InChIInChI=1S/C13H18ClNO2.CH5N/c14-12-3-4-13(17-8-7-16)11(9-12)10-15-5-1-2-6-15;1-2/h3-4,9,16H,1-2,5-8,10H2;2H2,1H3
InChIKeyMYJILAKAOLJGJP-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.88
Rot. Bonds5

About 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine

2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine (PubChem CID 171625093) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine.

Molecular Properties

Compound Name2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine
PubChem CID171625093
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine
SMILESCN.OCCOc1ccc(Cl)cc1CN1CCCC1
InChIInChI=1S/C13H18ClNO2.CH5N/c14-12-3-4-13(17-8-7-16)11(9-12)10-15-5-1-2-6-15;1-2/h3-4,9,16H,1-2,5-8,10H2;2H2,1H3
InChIKeyMYJILAKAOLJGJP-UHFFFAOYSA-N
XLogP1.88
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
CID 660603
4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride
CID 53313942
4-butoxy-3-(piperidin-1-ylmethyl)aniline
CID 154231160
3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43646650
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
(2R)-1-(azepan-1-yl)-3-[4-chloro-2-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97270084
[(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 171625000
1-(2-chloroethyl)-4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 63387973
1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine
CID 177027739
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 15576412
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine?
The IUPAC name of 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine (CID 171625093) is 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine.
What is the SMILES notation for 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine?
The canonical SMILES for 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine is CN.OCCOc1ccc(Cl)cc1CN1CCCC1.
What is the InChIKey of 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine?
The InChIKey is MYJILAKAOLJGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2.CH5N/c14-12-3-4-13(17-8-7-16)11(9-12)10-15-5-1-2-6-15;1-2/h3-4,9,16H,1-2,5-8,10H2;2H2,1H3.
What are the key properties of 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine?
2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine has a molecular weight of 286.80 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine is sourced from PubChem (CID 171625093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).