2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine

C13H19ClN2O2 — CID 65021633

IUPAC2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CN)N2CCOCC2)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-17-13-3-2-10(8-11(13)14)12(9-15)16-4-6-18-7-5-16/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyNIAOCSJMPYAXDJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.68
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine

2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine (PubChem CID 65021633) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
PubChem CID65021633
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CN)N2CCOCC2)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-17-13-3-2-10(8-11(13)14)12(9-15)16-4-6-18-7-5-16/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyNIAOCSJMPYAXDJ-UHFFFAOYSA-N
XLogP1.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 65021919
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(3-chloro-4-methoxyphenyl)ethanamine
CID 65022016
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
2-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16642914
4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol
CID 16782087
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 65021918

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine (CID 65021633) is 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine is COc1ccc(C(CN)N2CCOCC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The InChIKey is NIAOCSJMPYAXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-17-13-3-2-10(8-11(13)14)12(9-15)16-4-6-18-7-5-16/h2-3,8,12H,4-7,9,15H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine?
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine has a molecular weight of 270.76 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 65021633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).