2-(4-aminoanilino)-3-methoxypropan-1-ol

C10H16N2O2 — CID 106183923

IUPAC2-(4-aminoanilino)-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ccc(N)cc1
InChIInChI=1S/C10H16N2O2/c1-14-7-10(6-13)12-9-4-2-8(11)3-5-9/h2-5,10,12-13H,6-7,11H2,1H3
InChIKeySIPWGHNCESIDMP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.69
Rot. Bonds5

About 2-(4-aminoanilino)-3-methoxypropan-1-ol

2-(4-aminoanilino)-3-methoxypropan-1-ol (PubChem CID 106183923) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-aminoanilino)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(4-aminoanilino)-3-methoxypropan-1-ol
PubChem CID106183923
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(4-aminoanilino)-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ccc(N)cc1
InChIInChI=1S/C10H16N2O2/c1-14-7-10(6-13)12-9-4-2-8(11)3-5-9/h2-5,10,12-13H,6-7,11H2,1H3
InChIKeySIPWGHNCESIDMP-UHFFFAOYSA-N
XLogP0.69
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide
CID 106188719
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylbenzoic acid
CID 106190150
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184124
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184001
3-methoxy-2-[(2-methoxy-4-pyridinyl)amino]propan-1-ol
CID 106186414
5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181950
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
4-(1,3-dimethoxypropan-2-yloxy)aniline
CID 129353732
3-methoxy-2-(4-methyl-3-nitroanilino)propan-1-ol
CID 114155572
methyl 2-amino-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-3-methylbenzoate
CID 106184215
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]benzonitrile
CID 106189087

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoanilino)-3-methoxypropan-1-ol?
The IUPAC name of 2-(4-aminoanilino)-3-methoxypropan-1-ol (CID 106183923) is 2-(4-aminoanilino)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(4-aminoanilino)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(4-aminoanilino)-3-methoxypropan-1-ol is COCC(CO)Nc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminoanilino)-3-methoxypropan-1-ol?
The InChIKey is SIPWGHNCESIDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-7-10(6-13)12-9-4-2-8(11)3-5-9/h2-5,10,12-13H,6-7,11H2,1H3.
What are the key properties of 2-(4-aminoanilino)-3-methoxypropan-1-ol?
2-(4-aminoanilino)-3-methoxypropan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoanilino)-3-methoxypropan-1-ol is sourced from PubChem (CID 106183923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).