(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine

C17H18BrN3 — CID 115354391

IUPAC(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H18BrN3/c1-2-8-21-9-7-20-17(21)16(19)14-4-3-13-11-15(18)6-5-12(13)10-14/h3-7,9-11,16H,2,8,19H2,1H3
InChIKeyMAWGZASYOOMGMU-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.26
Rot. Bonds4

About (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine

(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine (PubChem CID 115354391) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine
PubChem CID115354391
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H18BrN3/c1-2-8-21-9-7-20-17(21)16(19)14-4-3-13-11-15(18)6-5-12(13)10-14/h3-7,9-11,16H,2,8,19H2,1H3
InChIKeyMAWGZASYOOMGMU-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
(1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 61316673
[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105197993
(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816373
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(R)-(4-bromophenyl)-(1-methylimidazol-2-yl)methanamine
CID 42220181
(6-bromonaphthalen-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115855045
(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848505
(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 114019284
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317941
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318558

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine (CID 115354391) is (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(N)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine?
The InChIKey is MAWGZASYOOMGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-2-8-21-9-7-20-17(21)16(19)14-4-3-13-11-15(18)6-5-12(13)10-14/h3-7,9-11,16H,2,8,19H2,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine?
(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine has a molecular weight of 344.26 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 115354391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).