3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol

C13H21NO — CID 115345859

IUPAC3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)CCN(C)C)c1
InChIInChI=1S/C13H21NO/c1-10-7-11(2)9-12(8-10)13(15)5-6-14(3)4/h7-9,13,15H,5-6H2,1-4H3
InChIKeyFXWSJJIPWHKOKE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.29
Rot. Bonds4

About 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol

3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol (PubChem CID 115345859) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
PubChem CID115345859
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)CCN(C)C)c1
InChIInChI=1S/C13H21NO/c1-10-7-11(2)9-12(8-10)13(15)5-6-14(3)4/h7-9,13,15H,5-6H2,1-4H3
InChIKeyFXWSJJIPWHKOKE-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 115345999
1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346441
1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
CID 64565140
1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol
CID 63900161
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
1-(3-amino-5-methylphenyl)butan-1-ol
CID 131048981
3-(dimethylamino)-1-(4-methylthiophen-2-yl)propan-1-ol
CID 91882089
1-(3,5-dimethylphenyl)hex-5-en-1-ol
CID 115804298
(4S)-4-(3,5-dimethylphenyl)-4-hydroxybutanamide
CID 68997524
3-(dimethylamino)-1-(2-methylquinolin-6-yl)propan-1-ol
CID 113291153
3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol
CID 115346033

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol (CID 115345859) is 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol is Cc1cc(C)cc(C(O)CCN(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol?
The InChIKey is FXWSJJIPWHKOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-7-11(2)9-12(8-10)13(15)5-6-14(3)4/h7-9,13,15H,5-6H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol?
3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 115345859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).