4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine

C16H27NO2 — CID 79615993

IUPAC4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1ccc(OC)cc1)C(C)OC
InChIInChI=1S/C16H27NO2/c1-5-12-17-16(13(2)18-3)11-8-14-6-9-15(19-4)10-7-14/h6-7,9-10,13,16-17H,5,8,11-12H2,1-4H3
InChIKeyFAVNQOJBNYWYPZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds9

About 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine

4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine (PubChem CID 79615993) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
PubChem CID79615993
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1ccc(OC)cc1)C(C)OC
InChIInChI=1S/C16H27NO2/c1-5-12-17-16(13(2)18-3)11-8-14-6-9-15(19-4)10-7-14/h6-7,9-10,13,16-17H,5,8,11-12H2,1-4H3
InChIKeyFAVNQOJBNYWYPZ-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 116717162
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
CID 65446675
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine
CID 115864749
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
CID 105005908
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine?
The IUPAC name of 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine (CID 79615993) is 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine.
What is the SMILES notation for 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine?
The canonical SMILES for 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine is CCCNC(CCc1ccc(OC)cc1)C(C)OC.
What is the InChIKey of 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine?
The InChIKey is FAVNQOJBNYWYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-12-17-16(13(2)18-3)11-8-14-6-9-15(19-4)10-7-14/h6-7,9-10,13,16-17H,5,8,11-12H2,1-4H3.
What are the key properties of 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine?
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine is sourced from PubChem (CID 79615993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).