(3-propoxyphenyl)-(3-propylphenyl)methanamine

C19H25NO — CID 105050359

IUPAC(3-propoxyphenyl)-(3-propylphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cccc(CCC)c2)c1
InChIInChI=1S/C19H25NO/c1-3-7-15-8-5-9-16(13-15)19(20)17-10-6-11-18(14-17)21-12-4-2/h5-6,8-11,13-14,19H,3-4,7,12,20H2,1-2H3
InChIKeyJJTHQFIUQAVYDJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.48
Rot. Bonds7

About (3-propoxyphenyl)-(3-propylphenyl)methanamine

(3-propoxyphenyl)-(3-propylphenyl)methanamine (PubChem CID 105050359) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (3-propoxyphenyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(3-propoxyphenyl)-(3-propylphenyl)methanamine
PubChem CID105050359
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(3-propoxyphenyl)-(3-propylphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cccc(CCC)c2)c1
InChIInChI=1S/C19H25NO/c1-3-7-15-8-5-9-16(13-15)19(20)17-10-6-11-18(14-17)21-12-4-2/h5-6,8-11,13-14,19H,3-4,7,12,20H2,1-2H3
InChIKeyJJTHQFIUQAVYDJ-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
[(3-ethoxyphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105192042
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine
CID 115804729
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680
(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 62921378
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
1-(3-propylphenyl)ethanamine
CID 116543909

Frequently Asked Questions

What is the IUPAC name of (3-propoxyphenyl)-(3-propylphenyl)methanamine?
The IUPAC name of (3-propoxyphenyl)-(3-propylphenyl)methanamine (CID 105050359) is (3-propoxyphenyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (3-propoxyphenyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (3-propoxyphenyl)-(3-propylphenyl)methanamine is CCCOc1cccc(C(N)c2cccc(CCC)c2)c1.
What is the InChIKey of (3-propoxyphenyl)-(3-propylphenyl)methanamine?
The InChIKey is JJTHQFIUQAVYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-7-15-8-5-9-16(13-15)19(20)17-10-6-11-18(14-17)21-12-4-2/h5-6,8-11,13-14,19H,3-4,7,12,20H2,1-2H3.
What are the key properties of (3-propoxyphenyl)-(3-propylphenyl)methanamine?
(3-propoxyphenyl)-(3-propylphenyl)methanamine has a molecular weight of 283.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxyphenyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 105050359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).