(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine

C18H20BrNO — CID 105188852

IUPAC(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
SMILESCOc1ccc(Br)c(C(N)c2ccccc2C2CCC2)c1
InChIInChI=1S/C18H20BrNO/c1-21-13-9-10-17(19)16(11-13)18(20)15-8-3-2-7-14(15)12-5-4-6-12/h2-3,7-12,18H,4-6,20H2,1H3
InChIKeyCXMDHSLMSGSEHG-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.77
Rot. Bonds4

About (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine

(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine (PubChem CID 105188852) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
PubChem CID105188852
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
SMILESCOc1ccc(Br)c(C(N)c2ccccc2C2CCC2)c1
InChIInChI=1S/C18H20BrNO/c1-21-13-9-10-17(19)16(11-13)18(20)15-8-3-2-7-14(15)12-5-4-6-12/h2-3,7-12,18H,4-6,20H2,1H3
InChIKeyCXMDHSLMSGSEHG-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

(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105052432
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791150
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938
(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine
CID 105141322
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
CID 105052438
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine (CID 105188852) is (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine is COc1ccc(Br)c(C(N)c2ccccc2C2CCC2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine?
The InChIKey is CXMDHSLMSGSEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-21-13-9-10-17(19)16(11-13)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 (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine?
(2-bromo-5-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 (2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105188852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).