2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol

C18H24N2O — CID 61047505

IUPAC2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol
SMILESCc1ccccc1NC(C)(CO)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-14-7-5-6-8-17(14)19-18(2,13-21)15-9-11-16(12-10-15)20(3)4/h5-12,19,21H,13H2,1-4H3
InChIKeyJJBXPFZUTMKYGD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.38
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol

2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol (PubChem CID 61047505) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol
PubChem CID61047505
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol
SMILESCc1ccccc1NC(C)(CO)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-14-7-5-6-8-17(14)19-18(2,13-21)15-9-11-16(12-10-15)20(3)4/h5-12,19,21H,13H2,1-4H3
InChIKeyJJBXPFZUTMKYGD-UHFFFAOYSA-N
XLogP3.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylanilino)-2-pyridin-3-ylpropan-1-ol
CID 61046057
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347
2-methyl-2-(2-methylanilino)propane-1,3-diol
CID 130509283
2-methyl-2-(2-methylanilino)propan-1-ol
CID 61045872
3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol
CID 65235212
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
CID 61047734
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
CID 61049003
3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol
CID 106523413
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
CID 105058453
2-phenyl-2-(quinolin-4-ylamino)propan-1-ol
CID 105058459

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol (CID 61047505) is 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol is Cc1ccccc1NC(C)(CO)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol?
The InChIKey is JJBXPFZUTMKYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-7-5-6-8-17(14)19-18(2,13-21)15-9-11-16(12-10-15)20(3)4/h5-12,19,21H,13H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol?
2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol is sourced from PubChem (CID 61047505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).