2-(2-methylphenoxy)octan-1-amine

C15H25NO — CID 155313069

IUPAC2-(2-methylphenoxy)octan-1-amine
SMILESCCCCCCC(CN)Oc1ccccc1C
InChIInChI=1S/C15H25NO/c1-3-4-5-6-10-14(12-16)17-15-11-8-7-9-13(15)2/h7-9,11,14H,3-6,10,12,16H2,1-2H3
InChIKeyRZBUVIVQTWCUJN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.67
Rot. Bonds8

About 2-(2-methylphenoxy)octan-1-amine

2-(2-methylphenoxy)octan-1-amine (PubChem CID 155313069) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-methylphenoxy)octan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenoxy)octan-1-amine
PubChem CID155313069
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(2-methylphenoxy)octan-1-amine
SMILESCCCCCCC(CN)Oc1ccccc1C
InChIInChI=1S/C15H25NO/c1-3-4-5-6-10-14(12-16)17-15-11-8-7-9-13(15)2/h7-9,11,14H,3-6,10,12,16H2,1-2H3
InChIKeyRZBUVIVQTWCUJN-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-di(octan-3-yloxy)benzene
CID 168861859
2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
CID 141386895
2-(2-ethylphenoxy)pentan-1-amine
CID 83044721
2-(2-methylphenyl)decan-1-amine
CID 79421405
1-methyl-2-pentadecoxybenzene
CID 154641785
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
tetracosan-8-yloxybenzene
CID 154135377
2-N-methyl-2-N-(2-methylphenyl)octane-1,2-diamine
CID 63465060
2-tetradecan-5-yloxybenzoic acid
CID 54162173
1-(2-methylphenoxy)butylphosphane
CID 175049476
2-(2-methylphenyl)-2-octan-2-yloxyethanamine
CID 55018718

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)octan-1-amine?
The IUPAC name of 2-(2-methylphenoxy)octan-1-amine (CID 155313069) is 2-(2-methylphenoxy)octan-1-amine.
What is the SMILES notation for 2-(2-methylphenoxy)octan-1-amine?
The canonical SMILES for 2-(2-methylphenoxy)octan-1-amine is CCCCCCC(CN)Oc1ccccc1C.
What is the InChIKey of 2-(2-methylphenoxy)octan-1-amine?
The InChIKey is RZBUVIVQTWCUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-6-10-14(12-16)17-15-11-8-7-9-13(15)2/h7-9,11,14H,3-6,10,12,16H2,1-2H3.
What are the key properties of 2-(2-methylphenoxy)octan-1-amine?
2-(2-methylphenoxy)octan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)octan-1-amine is sourced from PubChem (CID 155313069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).