(3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine

C17H21NO — CID 6093336

IUPAC(3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
SMILESCNCC[C@H](Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyVHGCDTVCOLNTBX-KRWDZBQOSA-N
MW255.36 g/mol
LogP3.72
Rot. Bonds6

About (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine

(3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine (PubChem CID 6093336) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
PubChem CID6093336
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
SMILESCNCC[C@H](Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyVHGCDTVCOLNTBX-KRWDZBQOSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
The IUPAC name of (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine (CID 6093336) is (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine.
What is the SMILES notation for (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
The canonical SMILES for (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine is CNCC[C@H](Oc1ccccc1C)c1ccccc1.
What is the InChIKey of (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
The InChIKey is VHGCDTVCOLNTBX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
(3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine is sourced from PubChem (CID 6093336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).