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

C12H17ClN2O — CID 63747624

IUPAC3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline
SMILESCC1CN(Cc2c(N)cccc2Cl)CCO1
InChIInChI=1S/C12H17ClN2O/c1-9-7-15(5-6-16-9)8-10-11(13)3-2-4-12(10)14/h2-4,9H,5-8,14H2,1H3
InChIKeyCTZYOZIWJDLHKB-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.14
Rot. Bonds2

About 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline

3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline (PubChem CID 63747624) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline
PubChem CID63747624
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline
SMILESCC1CN(Cc2c(N)cccc2Cl)CCO1
InChIInChI=1S/C12H17ClN2O/c1-9-7-15(5-6-16-9)8-10-11(13)3-2-4-12(10)14/h2-4,9H,5-8,14H2,1H3
InChIKeyCTZYOZIWJDLHKB-UHFFFAOYSA-N
XLogP2.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.14
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-[(2-amino-6-chlorophenyl)methyl]morpholine-2-carbonitrile
CID 79665254
3-chloro-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 63745239
3-chloro-2-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 63745580
3-chloro-2-[(3-ethylpiperidin-1-yl)methyl]aniline
CID 63745585
2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 74237243
[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 43122244
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
CID 63745227
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-chloroaniline
CID 63745414
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879
3-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]aniline
CID 178034876
5-[(2-methylmorpholin-4-yl)methyl]-1,3-oxazol-2-amine
CID 130701602

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline?
The IUPAC name of 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline (CID 63747624) is 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline?
The canonical SMILES for 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline is CC1CN(Cc2c(N)cccc2Cl)CCO1.
What is the InChIKey of 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline?
The InChIKey is CTZYOZIWJDLHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-7-15(5-6-16-9)8-10-11(13)3-2-4-12(10)14/h2-4,9H,5-8,14H2,1H3.
What are the key properties of 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline?
3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline has a molecular weight of 240.73 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline is sourced from PubChem (CID 63747624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).