2-phenoxy-2-phenylethanamine chloride

C14H15ClNO- — CID 21228850

IUPAC2-phenoxy-2-phenylethanamine chloride
SMILESNCC(Oc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C14H15NO.ClH/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13;/h1-10,14H,11,15H2;1H/p-1
InChIKeySEMHRAIVTOFIRJ-UHFFFAOYSA-M
MW248.73 g/mol
LogP-0.23
Rot. Bonds4

About 2-phenoxy-2-phenylethanamine chloride

2-phenoxy-2-phenylethanamine chloride (PubChem CID 21228850) has the molecular formula C14H15ClNO- and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-phenoxy-2-phenylethanamine chloride.

Molecular Properties

Compound Name2-phenoxy-2-phenylethanamine chloride
PubChem CID21228850
Molecular FormulaC14H15ClNO-
Molecular Weight248.73 g/mol
Exact Mass248.08
IUPAC Name2-phenoxy-2-phenylethanamine chloride
SMILESNCC(Oc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C14H15NO.ClH/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13;/h1-10,14H,11,15H2;1H/p-1
InChIKeySEMHRAIVTOFIRJ-UHFFFAOYSA-M
XLogP-0.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
4-(2-amino-1-phenylethoxy)benzonitrile
CID 55017587
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
(3-bromo-1-phenoxypropyl)benzene
CID 140974911
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
2-(2-iodophenoxy)-2-phenylethanamine
CID 55017639
1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
2-phenyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 55017685

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-2-phenylethanamine chloride?
The IUPAC name of 2-phenoxy-2-phenylethanamine chloride (CID 21228850) is 2-phenoxy-2-phenylethanamine chloride.
What is the SMILES notation for 2-phenoxy-2-phenylethanamine chloride?
The canonical SMILES for 2-phenoxy-2-phenylethanamine chloride is NCC(Oc1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-phenoxy-2-phenylethanamine chloride?
The InChIKey is SEMHRAIVTOFIRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15NO.ClH/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13;/h1-10,14H,11,15H2;1H/p-1.
What are the key properties of 2-phenoxy-2-phenylethanamine chloride?
2-phenoxy-2-phenylethanamine chloride has a molecular weight of 248.73 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-2-phenylethanamine chloride is sourced from PubChem (CID 21228850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).