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

C18H23NO2 — CID 82542335

IUPAC3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
SMILESCOc1ccc(-c2cccc(C(C)CCN)c2)cc1OC
InChIInChI=1S/C18H23NO2/c1-13(9-10-19)14-5-4-6-15(11-14)16-7-8-17(20-2)18(12-16)21-3/h4-8,11-13H,9-10,19H2,1-3H3
InChIKeyICKOIFTXQMVLGQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.82
Rot. Bonds6

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

3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine (PubChem CID 82542335) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
PubChem CID82542335
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
SMILESCOc1ccc(-c2cccc(C(C)CCN)c2)cc1OC
InChIInChI=1S/C18H23NO2/c1-13(9-10-19)14-5-4-6-15(11-14)16-7-8-17(20-2)18(12-16)21-3/h4-8,11-13H,9-10,19H2,1-3H3
InChIKeyICKOIFTXQMVLGQ-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
CID 61026051
3-[4-methoxy-3-(3-nitrophenyl)phenyl]butan-1-amine
CID 82542490
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine
CID 82542330
3-[3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542690
3-(3,4-dimethoxy-5-phenylphenyl)butan-1-amine
CID 82542986
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine
CID 117320551
3-[3-(2-methoxypropan-2-yl)phenyl]butan-1-amine
CID 115113501

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine?
The IUPAC name of 3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine (CID 82542335) is 3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine?
The canonical SMILES for 3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine is COc1ccc(-c2cccc(C(C)CCN)c2)cc1OC.
What is the InChIKey of 3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine?
The InChIKey is ICKOIFTXQMVLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(9-10-19)14-5-4-6-15(11-14)16-7-8-17(20-2)18(12-16)21-3/h4-8,11-13H,9-10,19H2,1-3H3.
What are the key properties of 3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine?
3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine is sourced from PubChem (CID 82542335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).