(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine

C18H20BrNO — CID 105052432

IUPAC(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccccc1C1CCC1
InChIInChI=1S/C18H20BrNO/c1-21-17-11-13(19)9-10-16(17)18(20)15-8-3-2-7-14(15)12-5-4-6-12/h2-3,7-12,18H,4-6,20H2,1H3
InChIKeyXMVDSNMTVBWACE-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.77
Rot. Bonds4

About (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine

(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine (PubChem CID 105052432) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
PubChem CID105052432
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccccc1C1CCC1
InChIInChI=1S/C18H20BrNO/c1-21-17-11-13(19)9-10-16(17)18(20)15-8-3-2-7-14(15)12-5-4-6-12/h2-3,7-12,18H,4-6,20H2,1H3
InChIKeyXMVDSNMTVBWACE-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791150
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938
(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105188852
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
CID 105052438
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049286
(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
CID 115368966
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine (CID 105052432) is (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine is COc1cc(Br)ccc1C(N)c1ccccc1C1CCC1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine?
The InChIKey is XMVDSNMTVBWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-21-17-11-13(19)9-10-16(17)18(20)15-8-3-2-7-14(15)12-5-4-6-12/h2-3,7-12,18H,4-6,20H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine?
(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine has a molecular weight of 346.27 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105052432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).