1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine

C18H17BrN2 — CID 105378223

IUPAC1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
SMILESCc1ccc2cc(CNCc3ccc(Br)cc3)ccc2n1
InChIInChI=1S/C18H17BrN2/c1-13-2-6-16-10-15(5-9-18(16)21-13)12-20-11-14-3-7-17(19)8-4-14/h2-10,20H,11-12H2,1H3
InChIKeyHPYRGUNZXHVWNP-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.60
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine

1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine (PubChem CID 105378223) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
PubChem CID105378223
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
SMILESCc1ccc2cc(CNCc3ccc(Br)cc3)ccc2n1
InChIInChI=1S/C18H17BrN2/c1-13-2-6-16-10-15(5-9-18(16)21-13)12-20-11-14-3-7-17(19)8-4-14/h2-10,20H,11-12H2,1H3
InChIKeyHPYRGUNZXHVWNP-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
1-(2-methylquinolin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 105378208
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378188
N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
CID 105378256
N,N-dimethyl-2-[(2-methylquinolin-6-yl)methylamino]acetamide
CID 105378280
2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928746
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521
3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine (CID 105378223) is 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine is Cc1ccc2cc(CNCc3ccc(Br)cc3)ccc2n1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine?
The InChIKey is HPYRGUNZXHVWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-13-2-6-16-10-15(5-9-18(16)21-13)12-20-11-14-3-7-17(19)8-4-14/h2-10,20H,11-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine?
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine has a molecular weight of 341.25 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine is sourced from PubChem (CID 105378223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).