(2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride

C18H24ClNO — CID 110176836

IUPAC(2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride
SMILESCOC(C[NH2+]C(C)Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H23NO.ClH/c1-15(13-16-9-5-3-6-10-16)19-14-18(20-2)17-11-7-4-8-12-17;/h3-12,15,18-19H,13-14H2,1-2H3;1H
InChIKeyAPUUQNNGWXGEED-UHFFFAOYSA-N
MW305.85 g/mol
LogP-0.43
Rot. Bonds7

About (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride

(2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride (PubChem CID 110176836) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride.

Molecular Properties

Compound Name(2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride
PubChem CID110176836
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name(2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride
SMILESCOC(C[NH2+]C(C)Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H23NO.ClH/c1-15(13-16-9-5-3-6-10-16)19-14-18(20-2)17-11-7-4-8-12-17;/h3-12,15,18-19H,13-14H2,1-2H3;1H
InChIKeyAPUUQNNGWXGEED-UHFFFAOYSA-N
XLogP-0.43
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluorobutyl(1-phenylpropan-2-yl)azanium chloride
CID 110174728
(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium
CID 7045470
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride
CID 110176932
N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine
CID 110177135
methyl(1-phenylpropan-2-yl)azanium
CID 5250834
(2-benzylselanyl-1-methoxyethyl)benzene
CID 15257784
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
(2R)-2-methoxy-2-phenylethanol
CID 6950345
N-iodo-2-methoxy-2-phenylethanamine
CID 175279844
N-benzyl-2-methoxy-2-phenylethanamine
CID 55038164
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride?
The IUPAC name of (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride (CID 110176836) is (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride.
What is the SMILES notation for (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride?
The canonical SMILES for (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride is COC(C[NH2+]C(C)Cc1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride?
The InChIKey is APUUQNNGWXGEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-15(13-16-9-5-3-6-10-16)19-14-18(20-2)17-11-7-4-8-12-17;/h3-12,15,18-19H,13-14H2,1-2H3;1H.
What are the key properties of (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride?
(2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride has a molecular weight of 305.85 g/mol, XLogP of -0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-phenylethyl)-(1-phenylpropan-2-yl)azanium chloride is sourced from PubChem (CID 110176836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).