1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol

C14H23NO — CID 79086807

IUPAC1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1ccc(CC(O)CN(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)13-7-5-12(6-8-13)9-14(16)10-15(3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyXSHFZZCECRZPKI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.28
Rot. Bonds5

About 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol

1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol (PubChem CID 79086807) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol
PubChem CID79086807
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1ccc(CC(O)CN(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)13-7-5-12(6-8-13)9-14(16)10-15(3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyXSHFZZCECRZPKI-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)pent-4-en-2-ol
CID 116659906
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
(2S)-2-methyl-3-(4-propan-2-ylphenyl)propanoate
CID 6956821
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol
CID 115121461
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
CID 105089027
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 39241972
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol (CID 79086807) is 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol is CC(C)c1ccc(CC(O)CN(C)C)cc1.
What is the InChIKey of 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol?
The InChIKey is XSHFZZCECRZPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)13-7-5-12(6-8-13)9-14(16)10-15(3)4/h5-8,11,14,16H,9-10H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol?
1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 79086807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).