2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline

C14H21ClN2O — CID 43575083

IUPAC2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
SMILESCCC1COC(C)CN1Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H21ClN2O/c1-3-12-9-18-10(2)7-17(12)8-11-4-5-13(15)14(16)6-11/h4-6,10,12H,3,7-9,16H2,1-2H3
InChIKeySURPUDBPVXLPHC-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline

2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline (PubChem CID 43575083) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
PubChem CID43575083
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
SMILESCCC1COC(C)CN1Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H21ClN2O/c1-3-12-9-18-10(2)7-17(12)8-11-4-5-13(15)14(16)6-11/h4-6,10,12H,3,7-9,16H2,1-2H3
InChIKeySURPUDBPVXLPHC-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 112631185
4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile
CID 60690951
2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine
CID 105347526
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107879237
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 61423944
1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62461076
methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749215
3-chloro-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoic acid
CID 102669918
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 43575113
4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline
CID 55159075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline?
The IUPAC name of 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline (CID 43575083) is 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline?
The canonical SMILES for 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline is CCC1COC(C)CN1Cc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline?
The InChIKey is SURPUDBPVXLPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-12-9-18-10(2)7-17(12)8-11-4-5-13(15)14(16)6-11/h4-6,10,12H,3,7-9,16H2,1-2H3.
What are the key properties of 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline?
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline has a molecular weight of 268.79 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline is sourced from PubChem (CID 43575083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).