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

C12H19NO — CID 13013916

IUPAC3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN(C)C)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)12(14)8-9-13(2)3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyNDCBASIYFTYQSG-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.98
Rot. Bonds4

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

3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol (PubChem CID 13013916) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
PubChem CID13013916
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN(C)C)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)12(14)8-9-13(2)3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyNDCBASIYFTYQSG-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
CID 115345859
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)ethanol
CID 63701341
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
4-[3-(dimethylamino)-1-hydroxypropyl]benzonitrile
CID 19025856
4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
CID 62617440
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 82073798
1-[4-(2-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propan-1-ol
CID 54171136

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol (CID 13013916) is 3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)CCN(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is NDCBASIYFTYQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)12(14)8-9-13(2)3/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol?
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 13013916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).