1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine

C18H23NO2 — CID 170888861

IUPAC1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-4-16(19)11-13-5-7-14(8-6-13)15-9-10-17(20-2)18(12-15)21-3/h5-10,12,16H,4,11,19H2,1-3H3
InChIKeyXBPDPSXCBLYZDM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.65
Rot. Bonds6

About 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine

1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine (PubChem CID 170888861) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
PubChem CID170888861
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-4-16(19)11-13-5-7-14(8-6-13)15-9-10-17(20-2)18(12-15)21-3/h5-10,12,16H,4,11,19H2,1-3H3
InChIKeyXBPDPSXCBLYZDM-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
CID 170892877
ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
1-(4-phenylphenyl)butan-2-amine
CID 23591877
1-[3-(4-methoxyphenyl)phenyl]butan-2-amine
CID 170888859
1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
CID 63803633
1-[4-methoxy-3-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455598
1-(3-methoxy-4-prop-2-ynoxyphenyl)butan-2-amine;hydrochloride
CID 170889669
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455589

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine?
The IUPAC name of 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine (CID 170888861) is 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine is CCC(N)Cc1ccc(-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine?
The InChIKey is XBPDPSXCBLYZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-16(19)11-13-5-7-14(8-6-13)15-9-10-17(20-2)18(12-15)21-3/h5-10,12,16H,4,11,19H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine?
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine is sourced from PubChem (CID 170888861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).