N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol

C18H33NO — CID 143622351

IUPACN-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCCc1ccc(CC(C)NC)cc1C
InChIInChI=1S/C14H23N.C4H10O/c1-5-6-14-8-7-13(9-11(14)2)10-12(3)15-4;1-4(2,3)5/h7-9,12,15H,5-6,10H2,1-4H3;5H,1-3H3
InChIKeyVSWYLQJJIFRESH-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.88
Rot. Bonds5

About N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol

N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol (PubChem CID 143622351) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol
PubChem CID143622351
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCCc1ccc(CC(C)NC)cc1C
InChIInChI=1S/C14H23N.C4H10O/c1-5-6-14-8-7-13(9-11(14)2)10-12(3)15-4;1-4(2,3)5/h7-9,12,15H,5-6,10H2,1-4H3;5H,1-3H3
InChIKeyVSWYLQJJIFRESH-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-2-methyl-1-propylbenzene
CID 91499094
1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
CID 21150467
1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine
CID 117205030
2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
CID 115494621
4,4-dimethyl-1-(2-methyl-4-propylphenyl)nonan-3-ol
CID 143107044
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
(2-methyl-4-propylphenyl)methanamine
CID 86664509
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
N-methyl-1-(3-methyl-1-propan-2-ylindol-6-yl)propan-2-amine
CID 117205038
ethyl 4-[2-(methylamino)propyl]benzoate
CID 70900098
[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
CID 118313545

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol?
The IUPAC name of N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol (CID 143622351) is N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol.
What is the SMILES notation for N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol?
The canonical SMILES for N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol is CC(C)(C)O.CCCc1ccc(CC(C)NC)cc1C.
What is the InChIKey of N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol?
The InChIKey is VSWYLQJJIFRESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C4H10O/c1-5-6-14-8-7-13(9-11(14)2)10-12(3)15-4;1-4(2,3)5/h7-9,12,15H,5-6,10H2,1-4H3;5H,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol?
N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol has a molecular weight of 279.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol is sourced from PubChem (CID 143622351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).