N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride

C22H24ClNO — CID 117068240

IUPACN-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride
SMILESCC(NCc1ccccc1)C(Oc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H23NO.ClH/c1-18(23-17-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)24-21-15-9-4-10-16-21;/h2-16,18,22-23H,17H2,1H3;1H
InChIKeyQLTGKMSOZWHIHM-UHFFFAOYSA-N
MW353.89 g/mol
LogP5.41
Rot. Bonds7

About N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride

N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride (PubChem CID 117068240) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride
PubChem CID117068240
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC NameN-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride
SMILESCC(NCc1ccccc1)C(Oc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H23NO.ClH/c1-18(23-17-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)24-21-15-9-4-10-16-21;/h2-16,18,22-23H,17H2,1H3;1H
InChIKeyQLTGKMSOZWHIHM-UHFFFAOYSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
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1-(benzylamino)-1-phenylpropan-2-ol
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CID 7145250

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride?
The IUPAC name of N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride (CID 117068240) is N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride is CC(NCc1ccccc1)C(Oc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride?
The InChIKey is QLTGKMSOZWHIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO.ClH/c1-18(23-17-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)24-21-15-9-4-10-16-21;/h2-16,18,22-23H,17H2,1H3;1H.
What are the key properties of N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride?
N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride is sourced from PubChem (CID 117068240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).