N-(4-methylphenoxy)methanamine

C8H11NO — CID 117126752

IUPACN-(4-methylphenoxy)methanamine
SMILESCNOc1ccc(C)cc1
InChIInChI=1S/C8H11NO/c1-7-3-5-8(6-4-7)10-9-2/h3-6,9H,1-2H3
InChIKeyPMOCSHWYJLRYIS-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.51
Rot. Bonds2

About N-(4-methylphenoxy)methanamine

N-(4-methylphenoxy)methanamine (PubChem CID 117126752) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-(4-methylphenoxy)methanamine.

Molecular Properties

Compound NameN-(4-methylphenoxy)methanamine
PubChem CID117126752
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-(4-methylphenoxy)methanamine
SMILESCNOc1ccc(C)cc1
InChIInChI=1S/C8H11NO/c1-7-3-5-8(6-4-7)10-9-2/h3-6,9H,1-2H3
InChIKeyPMOCSHWYJLRYIS-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenoxy)methanamine
CID 170041711
N-methylmethanamine;1,4-xylene
CID 66760370
1-(113C)methoxy-4-methylbenzene
CID 166176950
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518
iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
phosphane;tris(4-methylphenyl) phosphite
CID 174494653
1-(4-methoxyphenyl)-1-(4-methylphenyl)hydrazine
CID 66898674
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenoxy)methanamine?
The IUPAC name of N-(4-methylphenoxy)methanamine (CID 117126752) is N-(4-methylphenoxy)methanamine.
What is the SMILES notation for N-(4-methylphenoxy)methanamine?
The canonical SMILES for N-(4-methylphenoxy)methanamine is CNOc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenoxy)methanamine?
The InChIKey is PMOCSHWYJLRYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-3-5-8(6-4-7)10-9-2/h3-6,9H,1-2H3.
What are the key properties of N-(4-methylphenoxy)methanamine?
N-(4-methylphenoxy)methanamine has a molecular weight of 137.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenoxy)methanamine is sourced from PubChem (CID 117126752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).