[4-(4-methylphenyl)phenoxy]methanamine

C14H15NO — CID 148562944

IUPAC[4-(4-methylphenyl)phenoxy]methanamine
SMILESCc1ccc(-c2ccc(OCN)cc2)cc1
InChIInChI=1S/C14H15NO/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16-10-15/h2-9H,10,15H2,1H3
InChIKeyMVIWDXBLPBYXEW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.96
Rot. Bonds3

About [4-(4-methylphenyl)phenoxy]methanamine

[4-(4-methylphenyl)phenoxy]methanamine (PubChem CID 148562944) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenoxy]methanamine.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenoxy]methanamine
PubChem CID148562944
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name[4-(4-methylphenyl)phenoxy]methanamine
SMILESCc1ccc(-c2ccc(OCN)cc2)cc1
InChIInChI=1S/C14H15NO/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16-10-15/h2-9H,10,15H2,1H3
InChIKeyMVIWDXBLPBYXEW-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.96
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

1-ethoxy-4-methylbenzene;yttrium
CID 59970582
2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
CID 79004035
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
ethane;(4-ethylphenoxy)methanamine
CID 145400359
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
4-[4-[(4-methylphenoxy)methoxy]phenyl]benzonitrile
CID 129203224
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine
CID 28918398
2-(4-methylphenoxy)ethanol;thionyl dichloride
CID 91035331
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenoxy]methanamine?
The IUPAC name of [4-(4-methylphenyl)phenoxy]methanamine (CID 148562944) is [4-(4-methylphenyl)phenoxy]methanamine.
What is the SMILES notation for [4-(4-methylphenyl)phenoxy]methanamine?
The canonical SMILES for [4-(4-methylphenyl)phenoxy]methanamine is Cc1ccc(-c2ccc(OCN)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenoxy]methanamine?
The InChIKey is MVIWDXBLPBYXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16-10-15/h2-9H,10,15H2,1H3.
What are the key properties of [4-(4-methylphenyl)phenoxy]methanamine?
[4-(4-methylphenyl)phenoxy]methanamine has a molecular weight of 213.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenoxy]methanamine is sourced from PubChem (CID 148562944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).