methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride

C17H24ClNO — CID 175100899

IUPACmethanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
SMILESCCC(Oc1ccccc1C)c1ccccc1.CN.Cl
InChIInChI=1S/C16H18O.CH5N.ClH/c1-3-15(14-10-5-4-6-11-14)17-16-12-8-7-9-13(16)2;1-2;/h4-12,15H,3H2,1-2H3;2H2,1H3;1H
InChIKeyXPQWDWVCGBORRI-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.52
Rot. Bonds4

About methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride

methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride (PubChem CID 175100899) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride.

Molecular Properties

Compound Namemethanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
PubChem CID175100899
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Namemethanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
SMILESCCC(Oc1ccccc1C)c1ccccc1.CN.Cl
InChIInChI=1S/C16H18O.CH5N.ClH/c1-3-15(14-10-5-4-6-11-14)17-16-12-8-7-9-13(16)2;1-2;/h4-12,15H,3H2,1-2H3;2H2,1H3;1H
InChIKeyXPQWDWVCGBORRI-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 146156685
1-chloro-2-[1-(2-methylphenoxy)propyl]benzene
CID 174455453
1-methyl-2-[(1R)-3-nitro-1-phenylpropoxy]benzene
CID 102389343
N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
CID 90685594
2-O-[1-amino-3-(2-methylphenoxy)-3-phenylpropyl] 1-O-methyl oxalate
CID 57295193
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980199
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
CID 62454029

Frequently Asked Questions

What is the IUPAC name of methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride?
The IUPAC name of methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride (CID 175100899) is methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride.
What is the SMILES notation for methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride?
The canonical SMILES for methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride is CCC(Oc1ccccc1C)c1ccccc1.CN.Cl.
What is the InChIKey of methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride?
The InChIKey is XPQWDWVCGBORRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.CH5N.ClH/c1-3-15(14-10-5-4-6-11-14)17-16-12-8-7-9-13(16)2;1-2;/h4-12,15H,3H2,1-2H3;2H2,1H3;1H.
What are the key properties of methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride?
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride is sourced from PubChem (CID 175100899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).