1-amino-3-(3,5-dimethylanilino)propan-2-ol

C11H18N2O — CID 82040092

IUPAC1-amino-3-(3,5-dimethylanilino)propan-2-ol
SMILESCc1cc(C)cc(NCC(O)CN)c1
InChIInChI=1S/C11H18N2O/c1-8-3-9(2)5-10(4-8)13-7-11(14)6-12/h3-5,11,13-14H,6-7,12H2,1-2H3
InChIKeyPHICOWKQERFPDB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.03
Rot. Bonds4

About 1-amino-3-(3,5-dimethylanilino)propan-2-ol

1-amino-3-(3,5-dimethylanilino)propan-2-ol (PubChem CID 82040092) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-amino-3-(3,5-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,5-dimethylanilino)propan-2-ol
PubChem CID82040092
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-amino-3-(3,5-dimethylanilino)propan-2-ol
SMILESCc1cc(C)cc(NCC(O)CN)c1
InChIInChI=1S/C11H18N2O/c1-8-3-9(2)5-10(4-8)13-7-11(14)6-12/h3-5,11,13-14H,6-7,12H2,1-2H3
InChIKeyPHICOWKQERFPDB-UHFFFAOYSA-N
XLogP1.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
1-amino-3-(3,5-dichloroanilino)propan-2-ol
CID 82044189
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol
CID 60720370
1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
CID 82123660
(2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine
CID 71019513

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,5-dimethylanilino)propan-2-ol?
The IUPAC name of 1-amino-3-(3,5-dimethylanilino)propan-2-ol (CID 82040092) is 1-amino-3-(3,5-dimethylanilino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3,5-dimethylanilino)propan-2-ol?
The canonical SMILES for 1-amino-3-(3,5-dimethylanilino)propan-2-ol is Cc1cc(C)cc(NCC(O)CN)c1.
What is the InChIKey of 1-amino-3-(3,5-dimethylanilino)propan-2-ol?
The InChIKey is PHICOWKQERFPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-3-9(2)5-10(4-8)13-7-11(14)6-12/h3-5,11,13-14H,6-7,12H2,1-2H3.
What are the key properties of 1-amino-3-(3,5-dimethylanilino)propan-2-ol?
1-amino-3-(3,5-dimethylanilino)propan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,5-dimethylanilino)propan-2-ol is sourced from PubChem (CID 82040092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).