(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine

C18H23NO — CID 43198098

IUPAC(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO/c1-4-13(2)14-5-7-15(8-6-14)18(19)16-9-11-17(20-3)12-10-16/h5-13,18H,4,19H2,1-3H3
InChIKeyZIJIFFAKMOKJOO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.26
Rot. Bonds5

About (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine

(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine (PubChem CID 43198098) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
PubChem CID43198098
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO/c1-4-13(2)14-5-7-15(8-6-14)18(19)16-9-11-17(20-3)12-10-16/h5-13,18H,4,19H2,1-3H3
InChIKeyZIJIFFAKMOKJOO-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methoxyphenyl)heptan-3-amine
CID 83932078
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
6-(4-butan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 107663733
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine (CID 43198098) is (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine is CCC(C)c1ccc(C(N)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is ZIJIFFAKMOKJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-13(2)14-5-7-15(8-6-14)18(19)16-9-11-17(20-3)12-10-16/h5-13,18H,4,19H2,1-3H3.
What are the key properties of (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine?
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 43198098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).