4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol

C12H20N2O2 — CID 106243145

IUPAC4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1cc(C)ccc1N
InChIInChI=1S/C12H20N2O2/c1-9-3-4-11(13)12(7-9)14-6-5-10(15)8-16-2/h3-4,7,10,14-15H,5-6,8,13H2,1-2H3
InChIKeyYZSMIRWOQWNMGZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.39
Rot. Bonds6

About 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol

4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol (PubChem CID 106243145) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
PubChem CID106243145
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1cc(C)ccc1N
InChIInChI=1S/C12H20N2O2/c1-9-3-4-11(13)12(7-9)14-6-5-10(15)8-16-2/h3-4,7,10,14-15H,5-6,8,13H2,1-2H3
InChIKeyYZSMIRWOQWNMGZ-UHFFFAOYSA-N
XLogP1.39
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide
CID 106243281
4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
CID 114163073
4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
CID 106243071
1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 103875647
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243456
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243201
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106243226
5-bromo-2-[[(3S)-3-hydroxy-4-methoxybutyl]amino]benzonitrile
CID 97350234
5-bromo-2-[[(3R)-3-hydroxy-4-methoxybutyl]amino]benzonitrile
CID 97350233

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol?
The IUPAC name of 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol (CID 106243145) is 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol is COCC(O)CCNc1cc(C)ccc1N.
What is the InChIKey of 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol?
The InChIKey is YZSMIRWOQWNMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-3-4-11(13)12(7-9)14-6-5-10(15)8-16-2/h3-4,7,10,14-15H,5-6,8,13H2,1-2H3.
What are the key properties of 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol?
4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol is sourced from PubChem (CID 106243145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).