1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol

C11H18N2O2 — CID 112647844

IUPAC1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(C)cc(N)c1
InChIInChI=1S/C11H18N2O2/c1-8-3-9(12)5-10(4-8)13-6-11(14)7-15-2/h3-5,11,13-14H,6-7,12H2,1-2H3
InChIKeyQPBPOTAEMKCSPV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.00
Rot. Bonds5

About 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol

1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol (PubChem CID 112647844) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
PubChem CID112647844
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(C)cc(N)c1
InChIInChI=1S/C11H18N2O2/c1-8-3-9(12)5-10(4-8)13-6-11(14)7-15-2/h3-5,11,13-14H,6-7,12H2,1-2H3
InChIKeyQPBPOTAEMKCSPV-UHFFFAOYSA-N
XLogP1.00
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.00
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

1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
1-methoxy-3-(3-methyl-5-nitroanilino)propan-2-ol
CID 112649258
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639
1-amino-3-(3,5-dimethylanilino)propan-2-ol
CID 82040092
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol
CID 60720370
4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol
CID 106243117
4-(3-amino-5-methylanilino)butan-2-ol
CID 112647909
5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 113430182
1-[(5-amino-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79176154
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol (CID 112647844) is 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol is COCC(O)CNc1cc(C)cc(N)c1.
What is the InChIKey of 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol?
The InChIKey is QPBPOTAEMKCSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-3-9(12)5-10(4-8)13-6-11(14)7-15-2/h3-5,11,13-14H,6-7,12H2,1-2H3.
What are the key properties of 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol?
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 112647844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).