(4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone

C16H24N2O3 — CID 90103196

IUPAC(4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCOC(CC(C)C)C2)ccc1N
InChIInChI=1S/C16H24N2O3/c1-11(2)8-13-10-18(6-7-21-13)16(19)12-4-5-14(17)15(9-12)20-3/h4-5,9,11,13H,6-8,10,17H2,1-3H3
InChIKeyQPLQQRDCENTUET-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.16
Rot. Bonds4

About (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone

(4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone (PubChem CID 90103196) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone
PubChem CID90103196
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCOC(CC(C)C)C2)ccc1N
InChIInChI=1S/C16H24N2O3/c1-11(2)8-13-10-18(6-7-21-13)16(19)12-4-5-14(17)15(9-12)20-3/h4-5,9,11,13H,6-8,10,17H2,1-3H3
InChIKeyQPLQQRDCENTUET-UHFFFAOYSA-N
XLogP2.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119357851
(4-amino-3-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796729
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
(4-amino-3-methoxyphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 104782972
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone (CID 90103196) is (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone is COc1cc(C(=O)N2CCOC(CC(C)C)C2)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone?
The InChIKey is QPLQQRDCENTUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)8-13-10-18(6-7-21-13)16(19)12-4-5-14(17)15(9-12)20-3/h4-5,9,11,13H,6-8,10,17H2,1-3H3.
What are the key properties of (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone?
(4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone is sourced from PubChem (CID 90103196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).