3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine

C19H25NO2 — CID 82542330

IUPAC3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine
SMILESCCC(CCN)c1ccc(-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO2/c1-4-14(11-12-20)15-5-7-16(8-6-15)17-9-10-18(21-2)19(13-17)22-3/h5-10,13-14H,4,11-12,20H2,1-3H3
InChIKeyZMGDGHWALKJVQY-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.21
Rot. Bonds7

About 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine

3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine (PubChem CID 82542330) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine
PubChem CID82542330
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine
SMILESCCC(CCN)c1ccc(-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO2/c1-4-14(11-12-20)15-5-7-16(8-6-15)17-9-10-18(21-2)19(13-17)22-3/h5-10,13-14H,4,11-12,20H2,1-3H3
InChIKeyZMGDGHWALKJVQY-UHFFFAOYSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-(3,4-dimethoxyphenyl)-5,5,5-trifluoropentan-1-amine
CID 82534545
3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
CID 82542335
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
CID 170888861
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine?
The IUPAC name of 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine (CID 82542330) is 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine.
What is the SMILES notation for 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine?
The canonical SMILES for 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine is CCC(CCN)c1ccc(-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine?
The InChIKey is ZMGDGHWALKJVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-14(11-12-20)15-5-7-16(8-6-15)17-9-10-18(21-2)19(13-17)22-3/h5-10,13-14H,4,11-12,20H2,1-3H3.
What are the key properties of 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine?
3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine is sourced from PubChem (CID 82542330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).