3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine

C19H25NO — CID 82160440

IUPAC3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
SMILESCC(C)COc1ccccc1CC(CN)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)14-21-19-11-7-6-10-17(19)12-18(13-20)16-8-4-3-5-9-16/h3-11,15,18H,12-14,20H2,1-2H3
InChIKeyKVOHXFSWHXVLLC-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.01
Rot. Bonds7

About 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine

3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine (PubChem CID 82160440) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
PubChem CID82160440
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
SMILESCC(C)COc1ccccc1CC(CN)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)14-21-19-11-7-6-10-17(19)12-18(13-20)16-8-4-3-5-9-16/h3-11,15,18H,12-14,20H2,1-2H3
InChIKeyKVOHXFSWHXVLLC-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylphenoxy)-2-phenylpropan-1-amine
CID 112516482
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 82160549
2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
CID 82160370
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
3-(2-bromophenoxy)-2-phenylpropan-1-amine
CID 117242959
3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine
CID 81009930
1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
2-methylpropyl (3R)-4-amino-3-phenylbutanoate
CID 2057331
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine?
The IUPAC name of 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine (CID 82160440) is 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine.
What is the SMILES notation for 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine?
The canonical SMILES for 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine is CC(C)COc1ccccc1CC(CN)c1ccccc1.
What is the InChIKey of 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine?
The InChIKey is KVOHXFSWHXVLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)14-21-19-11-7-6-10-17(19)12-18(13-20)16-8-4-3-5-9-16/h3-11,15,18H,12-14,20H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine?
3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 82160440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).