N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine

C22H31NO2 — CID 54848699

IUPACN-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1cccc(OC)c1OCCC(C)C)c1ccccc1
InChIInChI=1S/C22H31NO2/c1-5-20(18-10-7-6-8-11-18)23-16-19-12-9-13-21(24-4)22(19)25-15-14-17(2)3/h6-13,17,20,23H,5,14-16H2,1-4H3
InChIKeyDFYWJFIYPXGDMD-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.36
Rot. Bonds10

About N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine

N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine (PubChem CID 54848699) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine
PubChem CID54848699
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1cccc(OC)c1OCCC(C)C)c1ccccc1
InChIInChI=1S/C22H31NO2/c1-5-20(18-10-7-6-8-11-18)23-16-19-12-9-13-21(24-4)22(19)25-15-14-17(2)3/h6-13,17,20,23H,5,14-16H2,1-4H3
InChIKeyDFYWJFIYPXGDMD-UHFFFAOYSA-N
XLogP5.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17155730
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848917
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 19644572

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine (CID 54848699) is N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine is CCC(NCc1cccc(OC)c1OCCC(C)C)c1ccccc1.
What is the InChIKey of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine?
The InChIKey is DFYWJFIYPXGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-5-20(18-10-7-6-8-11-18)23-16-19-12-9-13-21(24-4)22(19)25-15-14-17(2)3/h6-13,17,20,23H,5,14-16H2,1-4H3.
What are the key properties of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine?
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine has a molecular weight of 341.50 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 54848699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).