2-[4-(2-methylpropoxy)phenyl]propan-2-amine

C13H21NO — CID 50988085

IUPAC2-[4-(2-methylpropoxy)phenyl]propan-2-amine
SMILESCC(C)COc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C13H21NO/c1-10(2)9-15-12-7-5-11(6-8-12)13(3,4)14/h5-8,10H,9,14H2,1-4H3
InChIKeyUOJUPOMVRPWNCV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds4

About 2-[4-(2-methylpropoxy)phenyl]propan-2-amine

2-[4-(2-methylpropoxy)phenyl]propan-2-amine (PubChem CID 50988085) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)phenyl]propan-2-amine
PubChem CID50988085
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[4-(2-methylpropoxy)phenyl]propan-2-amine
SMILESCC(C)COc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C13H21NO/c1-10(2)9-15-12-7-5-11(6-8-12)13(3,4)14/h5-8,10H,9,14H2,1-4H3
InChIKeyUOJUPOMVRPWNCV-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 95444849
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine
CID 84792720
2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
CID 95440689
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile
CID 54886210
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
2-methyl-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
CID 111107736
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine
CID 62595732
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(2-methylpropoxy)phenyl]propan-2-amine (CID 50988085) is 2-[4-(2-methylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(2-methylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(2-methylpropoxy)phenyl]propan-2-amine is CC(C)COc1ccc(C(C)(C)N)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)phenyl]propan-2-amine?
The InChIKey is UOJUPOMVRPWNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)9-15-12-7-5-11(6-8-12)13(3,4)14/h5-8,10H,9,14H2,1-4H3.
What are the key properties of 2-[4-(2-methylpropoxy)phenyl]propan-2-amine?
2-[4-(2-methylpropoxy)phenyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 50988085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).