(2-methoxyphenyl)-(3-propylphenyl)methanamine

C17H21NO — CID 116543821

IUPAC(2-methoxyphenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2ccccc2OC)c1
InChIInChI=1S/C17H21NO/c1-3-7-13-8-6-9-14(12-13)17(18)15-10-4-5-11-16(15)19-2/h4-6,8-12,17H,3,7,18H2,1-2H3
InChIKeyOPGAIHZTRKIISI-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.70
Rot. Bonds5

About (2-methoxyphenyl)-(3-propylphenyl)methanamine

(2-methoxyphenyl)-(3-propylphenyl)methanamine (PubChem CID 116543821) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2-methoxyphenyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(2-methoxyphenyl)-(3-propylphenyl)methanamine
PubChem CID116543821
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2-methoxyphenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2ccccc2OC)c1
InChIInChI=1S/C17H21NO/c1-3-7-13-8-6-9-14(12-13)17(18)15-10-4-5-11-16(15)19-2/h4-6,8-12,17H,3,7,18H2,1-2H3
InChIKeyOPGAIHZTRKIISI-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116543823
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408
[4-(aminomethyl)phenyl]-(2-methoxyphenyl)methanamine
CID 116937090
(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine
CID 105018869
1-(3-propylphenyl)ethanamine
CID 116543909
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771
(5-chloro-2-methoxyphenyl)-(3-propylphenyl)methanol
CID 115838131
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(3-propylphenyl)methanamine?
The IUPAC name of (2-methoxyphenyl)-(3-propylphenyl)methanamine (CID 116543821) is (2-methoxyphenyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (2-methoxyphenyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (2-methoxyphenyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2ccccc2OC)c1.
What is the InChIKey of (2-methoxyphenyl)-(3-propylphenyl)methanamine?
The InChIKey is OPGAIHZTRKIISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-7-13-8-6-9-14(12-13)17(18)15-10-4-5-11-16(15)19-2/h4-6,8-12,17H,3,7,18H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(3-propylphenyl)methanamine?
(2-methoxyphenyl)-(3-propylphenyl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 116543821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).