3-(methylamino)-1-(4-methylphenyl)propan-1-ol

C11H17NO — CID 22925331

IUPAC3-(methylamino)-1-(4-methylphenyl)propan-1-ol
SMILESCNCCC(O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO/c1-9-3-5-10(6-4-9)11(13)7-8-12-2/h3-6,11-13H,7-8H2,1-2H3
InChIKeyDRMMCBLKLVYNCZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.64
Rot. Bonds4

About 3-(methylamino)-1-(4-methylphenyl)propan-1-ol

3-(methylamino)-1-(4-methylphenyl)propan-1-ol (PubChem CID 22925331) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(methylamino)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-1-(4-methylphenyl)propan-1-ol
PubChem CID22925331
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(methylamino)-1-(4-methylphenyl)propan-1-ol
SMILESCNCCC(O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO/c1-9-3-5-10(6-4-9)11(13)7-8-12-2/h3-6,11-13H,7-8H2,1-2H3
InChIKeyDRMMCBLKLVYNCZ-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylamino)-1-(4-methylphenyl)butan-1-ol
CID 23009156
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol
CID 67603481
(5R)-5-hydroxy-5-(4-methylphenyl)pentanenitrile
CID 163146166
1-chloro-5-hydroxy-5-(4-methylphenyl)pentan-2-one
CID 147680290
3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol
CID 82280396
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(methylamino)-1-(4-methylphenyl)propan-1-ol (CID 22925331) is 3-(methylamino)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(methylamino)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(methylamino)-1-(4-methylphenyl)propan-1-ol is CNCCC(O)c1ccc(C)cc1.
What is the InChIKey of 3-(methylamino)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is DRMMCBLKLVYNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-3-5-10(6-4-9)11(13)7-8-12-2/h3-6,11-13H,7-8H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(4-methylphenyl)propan-1-ol?
3-(methylamino)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 22925331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).