2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine

C14H23NO — CID 95444849

IUPAC2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
SMILESCC(C)COc1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C14H23NO/c1-11(2)10-16-13-7-5-12(6-8-13)9-14(3,4)15/h5-8,11H,9-10,15H2,1-4H3
InChIKeyZXECNHCPEHXYMW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds5

About 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine

2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine (PubChem CID 95444849) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
PubChem CID95444849
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
SMILESCC(C)COc1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C14H23NO/c1-11(2)10-16-13-7-5-12(6-8-13)9-14(3,4)15/h5-8,11H,9-10,15H2,1-4H3
InChIKeyZXECNHCPEHXYMW-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117313353
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
2-[4-(2-methylpropoxy)phenyl]ethanethiol
CID 95441132
1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
CID 144625021
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119522663
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
2-[[4-(2-methylpropoxy)phenyl]methylsulfanyl]ethylazanium
CID 7021394
2-[[4-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
CID 110913273
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119522662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine (CID 95444849) is 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine is CC(C)COc1ccc(CC(C)(C)N)cc1.
What is the InChIKey of 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine?
The InChIKey is ZXECNHCPEHXYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)10-16-13-7-5-12(6-8-13)9-14(3,4)15/h5-8,11H,9-10,15H2,1-4H3.
What are the key properties of 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine?
2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 95444849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).