(3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol

C14H22N2O2 — CID 143243861

IUPAC(3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol
SMILESCc1cccc(C(O)NCCN2CCOCC2)c1
InChIInChI=1S/C14H22N2O2/c1-12-3-2-4-13(11-12)14(17)15-5-6-16-7-9-18-10-8-16/h2-4,11,14-15,17H,5-10H2,1H3
InChIKeyAXHRCIKFZRGRCZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.91
Rot. Bonds5

About (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol

(3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol (PubChem CID 143243861) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol.

Molecular Properties

Compound Name(3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol
PubChem CID143243861
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol
SMILESCc1cccc(C(O)NCCN2CCOCC2)c1
InChIInChI=1S/C14H22N2O2/c1-12-3-2-4-13(11-12)14(17)15-5-6-16-7-9-18-10-8-16/h2-4,11,14-15,17H,5-10H2,1H3
InChIKeyAXHRCIKFZRGRCZ-UHFFFAOYSA-N
XLogP0.91
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111054870
(2R)-4-(3-methylanilino)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 1277380
5-methyl-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43201456
2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111660241
2-(3-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 21368370
4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
CID 71608225
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 97229499
(1R)-2-(2-morpholin-4-ylethylamino)-1-phenylethanol
CID 39353337
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633758

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol?
The IUPAC name of (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol (CID 143243861) is (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol.
What is the SMILES notation for (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol?
The canonical SMILES for (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol is Cc1cccc(C(O)NCCN2CCOCC2)c1.
What is the InChIKey of (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol?
The InChIKey is AXHRCIKFZRGRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-3-2-4-13(11-12)14(17)15-5-6-16-7-9-18-10-8-16/h2-4,11,14-15,17H,5-10H2,1H3.
What are the key properties of (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol?
(3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol has a molecular weight of 250.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol is sourced from PubChem (CID 143243861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).