(2,5-dimethylphenoxy)methanamine

C9H13NO — CID 89376053

IUPAC(2,5-dimethylphenoxy)methanamine
SMILESCc1ccc(C)c(OCN)c1
InChIInChI=1S/C9H13NO/c1-7-3-4-8(2)9(5-7)11-6-10/h3-5H,6,10H2,1-2H3
InChIKeyXTZHUFYDBQNABE-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.60
Rot. Bonds2

About (2,5-dimethylphenoxy)methanamine

(2,5-dimethylphenoxy)methanamine (PubChem CID 89376053) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2,5-dimethylphenoxy)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenoxy)methanamine
PubChem CID89376053
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2,5-dimethylphenoxy)methanamine
SMILESCc1ccc(C)c(OCN)c1
InChIInChI=1S/C9H13NO/c1-7-3-4-8(2)9(5-7)11-6-10/h3-5H,6,10H2,1-2H3
InChIKeyXTZHUFYDBQNABE-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine
CID 54855402
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768
1,4-dimethyl-2-pentoxybenzene
CID 59184214
1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
CID 79023730
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114032

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenoxy)methanamine?
The IUPAC name of (2,5-dimethylphenoxy)methanamine (CID 89376053) is (2,5-dimethylphenoxy)methanamine.
What is the SMILES notation for (2,5-dimethylphenoxy)methanamine?
The canonical SMILES for (2,5-dimethylphenoxy)methanamine is Cc1ccc(C)c(OCN)c1.
What is the InChIKey of (2,5-dimethylphenoxy)methanamine?
The InChIKey is XTZHUFYDBQNABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-3-4-8(2)9(5-7)11-6-10/h3-5H,6,10H2,1-2H3.
What are the key properties of (2,5-dimethylphenoxy)methanamine?
(2,5-dimethylphenoxy)methanamine has a molecular weight of 151.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenoxy)methanamine is sourced from PubChem (CID 89376053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).