1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol

C15H26N2O — CID 112514616

IUPAC1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN(C)c1c(C)cccc1C(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)14-8-6-7-12(3)15(14)17(5)10-13(18)9-16-4/h6-8,11,13,16,18H,9-10H2,1-5H3
InChIKeyPMZHFMDTZYAFJN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.13
Rot. Bonds6

About 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol

1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol (PubChem CID 112514616) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol
PubChem CID112514616
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN(C)c1c(C)cccc1C(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)14-8-6-7-12(3)15(14)17(5)10-13(18)9-16-4/h6-8,11,13,16,18H,9-10H2,1-5H3
InChIKeyPMZHFMDTZYAFJN-UHFFFAOYSA-N
XLogP2.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol (CID 112514616) is 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol is CNCC(O)CN(C)c1c(C)cccc1C(C)C.
What is the InChIKey of 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol?
The InChIKey is PMZHFMDTZYAFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)14-8-6-7-12(3)15(14)17(5)10-13(18)9-16-4/h6-8,11,13,16,18H,9-10H2,1-5H3.
What are the key properties of 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol?
1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N,2-dimethyl-6-propan-2-ylanilino)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 112514616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).