1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine

C19H25NO — CID 115958003

IUPAC1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-15-8-6-12-18(14-16(2)20)19(15)21-13-7-11-17-9-4-3-5-10-17/h3-6,8-10,12,16H,7,11,13-14,20H2,1-2H3
InChIKeyAUVUDQCSVDPHMG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.90
Rot. Bonds7

About 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine

1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine (PubChem CID 115958003) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
PubChem CID115958003
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-15-8-6-12-18(14-16(2)20)19(15)21-13-7-11-17-9-4-3-5-10-17/h3-6,8-10,12,16H,7,11,13-14,20H2,1-2H3
InChIKeyAUVUDQCSVDPHMG-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
1-(bromomethyl)-3-methyl-2-(4-phenylbutoxy)benzene
CID 114334011
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
CID 115958617
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
CID 114333944
1,3-dimethyl-2-(4-phenylbutoxy)benzene
CID 114334885
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine (CID 115958003) is 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OCCCc1ccccc1.
What is the InChIKey of 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine?
The InChIKey is AUVUDQCSVDPHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15-8-6-12-18(14-16(2)20)19(15)21-13-7-11-17-9-4-3-5-10-17/h3-6,8-10,12,16H,7,11,13-14,20H2,1-2H3.
What are the key properties of 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine?
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 115958003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).