1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol

C15H25NO2 — CID 3680061

IUPAC1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCc1cccc(N(C)CC(O)COCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)10-18-11-15(17)9-16(4)14-7-5-6-13(3)8-14/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyICBFFIJZTJWXRS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.46
Rot. Bonds7

About 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol

1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 3680061) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
PubChem CID3680061
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCc1cccc(N(C)CC(O)COCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)10-18-11-15(17)9-16(4)14-7-5-6-13(3)8-14/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyICBFFIJZTJWXRS-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol
CID 63944478
methyl 2-[(N,3-dimethylanilino)methyl]butanoate
CID 115253087
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
(2S)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163720
3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64789932
1-N-methyl-1-N-(3-methylphenyl)heptane-1,2-diamine
CID 70562883
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
1-(3-ethynyl-N-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110932796
3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996551
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol
CID 93164993

Frequently Asked Questions

What is the IUPAC name of 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol (CID 3680061) is 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol is Cc1cccc(N(C)CC(O)COCC(C)C)c1.
What is the InChIKey of 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is ICBFFIJZTJWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)10-18-11-15(17)9-16(4)14-7-5-6-13(3)8-14/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol?
1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 3680061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).