5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine

C16H27NO — CID 83937016

IUPAC5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
SMILESCc1cc(OCC(C)C)ccc1CCCC(C)N
InChIInChI=1S/C16H27NO/c1-12(2)11-18-16-9-8-15(13(3)10-16)7-5-6-14(4)17/h8-10,12,14H,5-7,11,17H2,1-4H3
InChIKeyUMHJDCYOFOZHHB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.70
Rot. Bonds7

About 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine

5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine (PubChem CID 83937016) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine.

Molecular Properties

Compound Name5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
PubChem CID83937016
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
SMILESCc1cc(OCC(C)C)ccc1CCCC(C)N
InChIInChI=1S/C16H27NO/c1-12(2)11-18-16-9-8-15(13(3)10-16)7-5-6-14(4)17/h8-10,12,14H,5-7,11,17H2,1-4H3
InChIKeyUMHJDCYOFOZHHB-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine
CID 83936392
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968
[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
CID 81279223
3-(4-ethoxy-2-methylphenyl)propane-1-thiol
CID 83798450
5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine
CID 89494915
3-(4-ethoxy-2-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170866578
4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one
CID 83937000
2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane
CID 83937057
2-(3-aminopropyl)-4-(2-methylpropoxy)phenol
CID 95423055

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine?
The IUPAC name of 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine (CID 83937016) is 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine.
What is the SMILES notation for 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine?
The canonical SMILES for 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine is Cc1cc(OCC(C)C)ccc1CCCC(C)N.
What is the InChIKey of 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine?
The InChIKey is UMHJDCYOFOZHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)11-18-16-9-8-15(13(3)10-16)7-5-6-14(4)17/h8-10,12,14H,5-7,11,17H2,1-4H3.
What are the key properties of 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine?
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine is sourced from PubChem (CID 83937016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).