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

C17H21NO — CID 170888859

IUPAC1-[3-(4-methoxyphenyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C17H21NO/c1-3-16(18)12-13-5-4-6-15(11-13)14-7-9-17(19-2)10-8-14/h4-11,16H,3,12,18H2,1-2H3
InChIKeyGJZPOZXYZRNUCY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.64
Rot. Bonds5

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

1-[3-(4-methoxyphenyl)phenyl]butan-2-amine (PubChem CID 170888859) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)phenyl]butan-2-amine
PubChem CID170888859
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[3-(4-methoxyphenyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C17H21NO/c1-3-16(18)12-13-5-4-6-15(11-13)14-7-9-17(19-2)10-8-14/h4-11,16H,3,12,18H2,1-2H3
InChIKeyGJZPOZXYZRNUCY-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene
CID 173309797
N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine
CID 90720567
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
CID 170888861
1-(4-phenylphenyl)butan-2-amine
CID 23591877
1-methoxy-4-[3-(thionitrosomethyl)phenyl]benzene
CID 174476186
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-[4-(3-methoxyphenyl)phenyl]propan-1-amine
CID 54911575
3-[3-(4-methoxyphenyl)phenyl]propan-1-ol
CID 69415328
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
3-[4-(2-aminobutyl)phenyl]benzoic acid
CID 170888400

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(4-methoxyphenyl)phenyl]butan-2-amine (CID 170888859) is 1-[3-(4-methoxyphenyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(4-methoxyphenyl)phenyl]butan-2-amine is CCC(N)Cc1cccc(-c2ccc(OC)cc2)c1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)phenyl]butan-2-amine?
The InChIKey is GJZPOZXYZRNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-16(18)12-13-5-4-6-15(11-13)14-7-9-17(19-2)10-8-14/h4-11,16H,3,12,18H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)phenyl]butan-2-amine?
1-[3-(4-methoxyphenyl)phenyl]butan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)phenyl]butan-2-amine is sourced from PubChem (CID 170888859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).