5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline

C13H19ClN2O — CID 62100073

IUPAC5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
SMILESCC1CN(Cc2ccc(Cl)cc2N)CC(C)O1
InChIInChI=1S/C13H19ClN2O/c1-9-6-16(7-10(2)17-9)8-11-3-4-12(14)5-13(11)15/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyJRLUUGUQPPBDSS-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.53
Rot. Bonds2

About 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline

5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline (PubChem CID 62100073) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
PubChem CID62100073
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
SMILESCC1CN(Cc2ccc(Cl)cc2N)CC(C)O1
InChIInChI=1S/C13H19ClN2O/c1-9-6-16(7-10(2)17-9)8-11-3-4-12(14)5-13(11)15/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyJRLUUGUQPPBDSS-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.53
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-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102932091
4-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 79582306
5-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79187911
1-[(2-amino-4-chlorophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463915
4-chloro-3-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 43169075
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
CID 102936602
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79582573
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 62941868
6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one
CID 30981055
N-(2-amino-4-chlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779484
4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 43375473

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline (CID 62100073) is 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline is CC1CN(Cc2ccc(Cl)cc2N)CC(C)O1.
What is the InChIKey of 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline?
The InChIKey is JRLUUGUQPPBDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-6-16(7-10(2)17-9)8-11-3-4-12(14)5-13(11)15/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline?
5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline has a molecular weight of 254.76 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline is sourced from PubChem (CID 62100073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).