2-methyl-5-(morpholin-4-ylmethyl)aniline

C12H18N2O — CID 28596875

IUPAC2-methyl-5-(morpholin-4-ylmethyl)aniline
SMILESCc1ccc(CN2CCOCC2)cc1N
InChIInChI=1S/C12H18N2O/c1-10-2-3-11(8-12(10)13)9-14-4-6-15-7-5-14/h2-3,8H,4-7,9,13H2,1H3
InChIKeyNPVCQTRILTZRCD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.41
Rot. Bonds2

About 2-methyl-5-(morpholin-4-ylmethyl)aniline

2-methyl-5-(morpholin-4-ylmethyl)aniline (PubChem CID 28596875) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-5-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-methyl-5-(morpholin-4-ylmethyl)aniline
PubChem CID28596875
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methyl-5-(morpholin-4-ylmethyl)aniline
SMILESCc1ccc(CN2CCOCC2)cc1N
InChIInChI=1S/C12H18N2O/c1-10-2-3-11(8-12(10)13)9-14-4-6-15-7-5-14/h2-3,8H,4-7,9,13H2,1H3
InChIKeyNPVCQTRILTZRCD-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.41
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-(Morpholinomethyl)aniline
CID 776851
4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
(4-Methylbenzyl)(4-morpholin-4-ylphenyl)amine
CID 961186
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
1-(2,5-Dimethylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 2731414
N-(4-methylphenyl)morpholine-4-sulfonamide
CID 2979005
N-(3-methylphenyl)-3-morpholin-4-ylpropanamide
CID 739956
2-Methyl-4-(N-ethyl-N-(beta-hydroxyethyl)amino)aniline
CID 75383
3-(1-Piperidinylmethyl)aniline
CID 6484331
N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
CID 3830898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)aniline (CID 28596875) is 2-methyl-5-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 2-methyl-5-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 2-methyl-5-(morpholin-4-ylmethyl)aniline is Cc1ccc(CN2CCOCC2)cc1N.
What is the InChIKey of 2-methyl-5-(morpholin-4-ylmethyl)aniline?
The InChIKey is NPVCQTRILTZRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-2-3-11(8-12(10)13)9-14-4-6-15-7-5-14/h2-3,8H,4-7,9,13H2,1H3.
What are the key properties of 2-methyl-5-(morpholin-4-ylmethyl)aniline?
2-methyl-5-(morpholin-4-ylmethyl)aniline has a molecular weight of 206.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 28596875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).