4-(2-methylphenoxy)pentan-2-amine

C12H19NO — CID 64707496

IUPAC4-(2-methylphenoxy)pentan-2-amine
SMILESCc1ccccc1OC(C)CC(C)N
InChIInChI=1S/C12H19NO/c1-9-6-4-5-7-12(9)14-11(3)8-10(2)13/h4-7,10-11H,8,13H2,1-3H3
InChIKeyNOHXAWOFZSKHPU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds4

About 4-(2-methylphenoxy)pentan-2-amine

4-(2-methylphenoxy)pentan-2-amine (PubChem CID 64707496) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2-methylphenoxy)pentan-2-amine.

Molecular Properties

Compound Name4-(2-methylphenoxy)pentan-2-amine
PubChem CID64707496
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(2-methylphenoxy)pentan-2-amine
SMILESCc1ccccc1OC(C)CC(C)N
InChIInChI=1S/C12H19NO/c1-9-6-4-5-7-12(9)14-11(3)8-10(2)13/h4-7,10-11H,8,13H2,1-3H3
InChIKeyNOHXAWOFZSKHPU-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenoxy)propylhydrazine
CID 82280822
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
1-amino-4-(2-methylphenoxy)pentan-2-one
CID 82395635
2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline
CID 58649295
1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene
CID 155904142
1-(1-iodoethoxy)-2-methylbenzene
CID 135136268
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
4-(2-methylphenoxy)pentan-2-yl 2-diazoacetate
CID 101142896
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
2,2-bis(2-methylphenoxy)ethylphosphane
CID 175048136
2-(2,3-dimethylphenoxy)propan-1-amine
CID 22688786

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)pentan-2-amine?
The IUPAC name of 4-(2-methylphenoxy)pentan-2-amine (CID 64707496) is 4-(2-methylphenoxy)pentan-2-amine.
What is the SMILES notation for 4-(2-methylphenoxy)pentan-2-amine?
The canonical SMILES for 4-(2-methylphenoxy)pentan-2-amine is Cc1ccccc1OC(C)CC(C)N.
What is the InChIKey of 4-(2-methylphenoxy)pentan-2-amine?
The InChIKey is NOHXAWOFZSKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-6-4-5-7-12(9)14-11(3)8-10(2)13/h4-7,10-11H,8,13H2,1-3H3.
What are the key properties of 4-(2-methylphenoxy)pentan-2-amine?
4-(2-methylphenoxy)pentan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)pentan-2-amine is sourced from PubChem (CID 64707496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).