(4-phenoxyphenyl)methanamine

C13H13NO — CID 2760343

IUPAC(4-phenoxyphenyl)methanamine
SMILESNCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKeyCCAZAGUSBMVSAR-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.94
Rot. Bonds3

About (4-phenoxyphenyl)methanamine

(4-phenoxyphenyl)methanamine (PubChem CID 2760343) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (4-phenoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-phenoxyphenyl)methanamine
PubChem CID2760343
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(4-phenoxyphenyl)methanamine
SMILESNCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKeyCCAZAGUSBMVSAR-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-Methyltyramine
CID 4657
4-Methoxybenzylamine
CID 75452
3-Methoxybenzylamine
CID 21156
2-Ethoxybenzylamine
CID 123465
4-Ethoxy-alpha-methylbenzeneethanamine
CID 125379
(4-Ethoxyphenyl)methanamine
CID 808423
4-(Trifluoromethoxy)benzylamine
CID 571846
(S)-1-(4-Methoxyphenyl)ethylamine
CID 793467
4-Phenoxyphenethylamine
CID 145535
2-(4-Benzyloxy-phenyl)-ethylamine
CID 200957
4-Methoxybenzenecarbothioamide
CID 736827
4-Benzyloxyamphetamine
CID 134616

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)methanamine?
The IUPAC name of (4-phenoxyphenyl)methanamine (CID 2760343) is (4-phenoxyphenyl)methanamine.
What is the SMILES notation for (4-phenoxyphenyl)methanamine?
The canonical SMILES for (4-phenoxyphenyl)methanamine is NCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-phenoxyphenyl)methanamine?
The InChIKey is CCAZAGUSBMVSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2.
What are the key properties of (4-phenoxyphenyl)methanamine?
(4-phenoxyphenyl)methanamine has a molecular weight of 199.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)methanamine is sourced from PubChem (CID 2760343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).