(4-benzylphenoxy)methanamine

C14H15NO — CID 67208849

IUPAC(4-benzylphenoxy)methanamine
SMILESNCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H15NO/c15-11-16-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11,15H2
InChIKeyBRIZNMCSWOBCLM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.57
Rot. Bonds4

About (4-benzylphenoxy)methanamine

(4-benzylphenoxy)methanamine (PubChem CID 67208849) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (4-benzylphenoxy)methanamine.

Molecular Properties

Compound Name(4-benzylphenoxy)methanamine
PubChem CID67208849
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(4-benzylphenoxy)methanamine
SMILESNCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H15NO/c15-11-16-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11,15H2
InChIKeyBRIZNMCSWOBCLM-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.57
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

(4-benzylphenoxy) thiohypofluorite
CID 178117006
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
phenyl(113C)methylbenzene
CID 11194569
2-amino-3-(4-benzylphenoxy)propane-1-thiol;hydrochloride
CID 18435852
ethane;(4-ethylphenoxy)methanamine
CID 145400359
2-(4-benzylphenoxy)-2-methylpropan-1-amine
CID 62353621
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
N-(2-aminoethyl)-2-(4-benzylphenoxy)acetamide
CID 62275392
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
2-(4-benzylphenoxy)acetaldehyde;methanol
CID 142103136
2-(4-benzylphenoxy)ethanimine
CID 173296115

Frequently Asked Questions

What is the IUPAC name of (4-benzylphenoxy)methanamine?
The IUPAC name of (4-benzylphenoxy)methanamine (CID 67208849) is (4-benzylphenoxy)methanamine.
What is the SMILES notation for (4-benzylphenoxy)methanamine?
The canonical SMILES for (4-benzylphenoxy)methanamine is NCOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (4-benzylphenoxy)methanamine?
The InChIKey is BRIZNMCSWOBCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-11-16-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11,15H2.
What are the key properties of (4-benzylphenoxy)methanamine?
(4-benzylphenoxy)methanamine has a molecular weight of 213.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylphenoxy)methanamine is sourced from PubChem (CID 67208849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).